(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide

C22H19ClN2O — CID 41010161

IUPAC(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1
InChIInChI=1S/C22H19ClN2O/c1-13-3-7-17(8-4-13)24-22(26)14(2)15-5-9-18-19-12-16(23)6-10-20(19)25-21(18)11-15/h3-12,14,25H,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyFQUITFNXNKTGOM-AWEZNQCLSA-N
MW362.86 g/mol
LogP6.03
Rot. Bonds3

About (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide

(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide (PubChem CID 41010161) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
PubChem CID41010161
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1
InChIInChI=1S/C22H19ClN2O/c1-13-3-7-17(8-4-13)24-22(26)14(2)15-5-9-18-19-12-16(23)6-10-20(19)25-21(18)11-15/h3-12,14,25H,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyFQUITFNXNKTGOM-AWEZNQCLSA-N
XLogP6.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97266964
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 41062772
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 40918719
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 40918404
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;tris(4-pyridin-4-ylpyridine)
CID 139196134
1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 68796215
ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 41118330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide (CID 41010161) is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1.
What is the InChIKey of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is FQUITFNXNKTGOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-13-3-7-17(8-4-13)24-22(26)14(2)15-5-9-18-19-12-16(23)6-10-20(19)25-21(18)11-15/h3-12,14,25H,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide?
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 41010161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).