(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide

C23H21ClN2O2 — CID 40918719

IUPAC(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
SMILESC[C@@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C23H21ClN2O2/c1-14(23(28)26-22(13-27)15-5-3-2-4-6-15)16-7-9-18-19-12-17(24)8-10-20(19)25-21(18)11-16/h2-12,14,22,25,27H,13H2,1H3,(H,26,28)/t14-,22-/m1/s1
InChIKeyGSGIRQPJSSVRGZ-JLCFBVMHSA-N
MW392.89 g/mol
LogP4.93
Rot. Bonds5

About (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide

(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide (PubChem CID 40918719) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
PubChem CID40918719
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
SMILESC[C@@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C23H21ClN2O2/c1-14(23(28)26-22(13-27)15-5-3-2-4-6-15)16-7-9-18-19-12-17(24)8-10-20(19)25-21(18)11-16/h2-12,14,22,25,27H,13H2,1H3,(H,26,28)/t14-,22-/m1/s1
InChIKeyGSGIRQPJSSVRGZ-JLCFBVMHSA-N
XLogP4.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 40918404
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
CID 41010161
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97266964
(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
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 41062772
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 (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide (CID 40918719) is (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide is C[C@@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
The InChIKey is GSGIRQPJSSVRGZ-JLCFBVMHSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-14(23(28)26-22(13-27)15-5-3-2-4-6-15)16-7-9-18-19-12-17(24)8-10-20(19)25-21(18)11-16/h2-12,14,22,25,27H,13H2,1H3,(H,26,28)/t14-,22-/m1/s1.
What are the key properties of (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide?
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide has a molecular weight of 392.89 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide is sourced from PubChem (CID 40918719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).