N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

C27H34FN3O2 — CID 71457355

IUPACN-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN1CCCC1)c1cccc(F)c1
InChIInChI=1S/C27H34FN3O2/c1-20-10-5-6-15-24(20)26(27(33)29-22-12-3-2-4-13-22)31(23-14-9-11-21(28)18-23)25(32)19-30-16-7-8-17-30/h5-6,9-11,14-15,18,22,26H,2-4,7-8,12-13,16-17,19H2,1H3,(H,29,33)
InChIKeyUINCVEDSEWVFSU-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.75
Rot. Bonds7

About N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 71457355) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID71457355
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN1CCCC1)c1cccc(F)c1
InChIInChI=1S/C27H34FN3O2/c1-20-10-5-6-15-24(20)26(27(33)29-22-12-3-2-4-13-22)31(23-14-9-11-21(28)18-23)25(32)19-30-16-7-8-17-30/h5-6,9-11,14-15,18,22,26H,2-4,7-8,12-13,16-17,19H2,1H3,(H,29,33)
InChIKeyUINCVEDSEWVFSU-UHFFFAOYSA-N
XLogP4.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aziridin-1-ylsulfonylamino)-N-[(1R)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 130470358
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cycloheptyl-2-(2-methylphenyl)acetamide
CID 147804491
2-(2-chlorophenyl)-N-cyclohexyl-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-3-fluoroanilino)acetamide
CID 137496984
tert-butyl N-[(2S)-1-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamate
CID 163746579
N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 123235406
N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 123763803
2-(N-[2-(3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56646353
(2S)-1-[[2-(N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]-sulfinatoamino]-2-methylaziridine
CID 137496953
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
CID 71461016
[(2S)-1-(N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
CID 137496903
[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid
CID 161315225
tert-butyl N-[2-(N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]carbamate
CID 123860596

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 71457355) is N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN1CCCC1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is UINCVEDSEWVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c1-20-10-5-6-15-24(20)26(27(33)29-22-12-3-2-4-13-22)31(23-14-9-11-21(28)18-23)25(32)19-30-16-7-8-17-30/h5-6,9-11,14-15,18,22,26H,2-4,7-8,12-13,16-17,19H2,1H3,(H,29,33).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 451.59 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 71457355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).