2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C26H29ClN2O2 — CID 42762993

IUPAC2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOc1cccc(Cn2cccc2CN(C(=O)c2ccccc2Cl)C2CCCCC2)c1
InChIInChI=1S/C26H29ClN2O2/c1-31-23-13-7-9-20(17-23)18-28-16-8-12-22(28)19-29(21-10-3-2-4-11-21)26(30)24-14-5-6-15-25(24)27/h5-9,12-17,21H,2-4,10-11,18-19H2,1H3
InChIKeyNAIILSPOZXBDRJ-UHFFFAOYSA-N
MW436.98 g/mol
LogP6.17
Rot. Bonds7

About 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide

2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 42762993) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID42762993
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC Name2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOc1cccc(Cn2cccc2CN(C(=O)c2ccccc2Cl)C2CCCCC2)c1
InChIInChI=1S/C26H29ClN2O2/c1-31-23-13-7-9-20(17-23)18-28-16-8-12-22(28)19-29(21-10-3-2-4-11-21)26(30)24-14-5-6-15-25(24)27/h5-9,12-17,21H,2-4,10-11,18-19H2,1H3
InChIKeyNAIILSPOZXBDRJ-UHFFFAOYSA-N
XLogP6.17
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663147
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3457406
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-methoxybenzamide
CID 4004357
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 42762998
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-cyclohexyl-3-methoxybenzamide
CID 42776780
N-cyclohexyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3394372
(3S)-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethylhexanamide
CID 7226409
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-methoxyacetamide
CID 3972757
3,4-dichloro-N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762652
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810263
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylthiophene-2-carboxamide
CID 42762783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 42762993) is 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide is COc1cccc(Cn2cccc2CN(C(=O)c2ccccc2Cl)C2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is NAIILSPOZXBDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c1-31-23-13-7-9-20(17-23)18-28-16-8-12-22(28)19-29(21-10-3-2-4-11-21)26(30)24-14-5-6-15-25(24)27/h5-9,12-17,21H,2-4,10-11,18-19H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 436.98 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 42762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).