(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide

C22H27ClN2O3 — CID 51393782

IUPAC(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C22H27ClN2O3/c1-16-8-5-6-12-19(16)21(22(27)24-17-9-3-2-4-10-17)25(20(26)14-23)15-18-11-7-13-28-18/h5-8,11-13,17,21H,2-4,9-10,14-15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyFTDYIOPICHYQLJ-NRFANRHFSA-N
MW402.92 g/mol
LogP4.35
Rot. Bonds7

About (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide

(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide (PubChem CID 51393782) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
PubChem CID51393782
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C22H27ClN2O3/c1-16-8-5-6-12-19(16)21(22(27)24-17-9-3-2-4-10-17)25(20(26)14-23)15-18-11-7-13-28-18/h5-8,11-13,17,21H,2-4,9-10,14-15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyFTDYIOPICHYQLJ-NRFANRHFSA-N
XLogP4.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809840
2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809846
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809836
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cycloheptyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86810222
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
2-[(2-chloroacetyl)-penta-1,3-dien-3-ylamino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 123415010
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163170695
N-benzyl-N'-cyclohexyl-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-2,2-dimethylpropanediamide
CID 154926643
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3188472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The IUPAC name of (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide (CID 51393782) is (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide is Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CCl.
What is the InChIKey of (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The InChIKey is FTDYIOPICHYQLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-16-8-5-6-12-19(16)21(22(27)24-17-9-3-2-4-10-17)25(20(26)14-23)15-18-11-7-13-28-18/h5-8,11-13,17,21H,2-4,9-10,14-15H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide?
(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide has a molecular weight of 402.92 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 51393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).