(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide

C22H23ClN2O3 — CID 95091482

IUPAC(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCC1)CO2)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O3/c23-17-5-3-4-14(11-17)21(26)25-19-8-9-20-15(12-19)10-16(13-28-20)22(27)24-18-6-1-2-7-18/h3-5,8-9,11-12,16,18H,1-2,6-7,10,13H2,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyGSWOVEAZXYUSAK-INIZCTEOSA-N
MW398.89 g/mol
LogP4.20
Rot. Bonds4

About (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091482) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091482
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCC1)CO2)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O3/c23-17-5-3-4-14(11-17)21(26)25-19-8-9-20-15(12-19)10-16(13-28-20)22(27)24-18-6-1-2-7-18/h3-5,8-9,11-12,16,18H,1-2,6-7,10,13H2,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyGSWOVEAZXYUSAK-INIZCTEOSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091522
(3R)-6-[(3-chlorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091496
(3S)-6-[(3-chlorobenzoyl)amino]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091499
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123408
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 55679062
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880603

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091482) is (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCC1)CO2)c1cccc(Cl)c1.
What is the InChIKey of (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GSWOVEAZXYUSAK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-17-5-3-4-14(11-17)21(26)25-19-8-9-20-15(12-19)10-16(13-28-20)22(27)24-18-6-1-2-7-18/h3-5,8-9,11-12,16,18H,1-2,6-7,10,13H2,(H,24,27)(H,25,26)/t16-/m0/s1.
What are the key properties of (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).