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

C15H13ClN2O — CID 71483149

IUPAC(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
SMILESC[C@H](C(N)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O/c1-8(15(17)19)9-2-4-11-12-7-10(16)3-5-13(12)18-14(11)6-9/h2-8,18H,1H3,(H2,17,19)/t8-/m0/s1
InChIKeyVHESVJYJVXHWRP-QMMMGPOBSA-N
MW272.74 g/mol
LogP3.56
Rot. Bonds2

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

(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide (PubChem CID 71483149) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
PubChem CID71483149
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
SMILESC[C@H](C(N)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O/c1-8(15(17)19)9-2-4-11-12-7-10(16)3-5-13(12)18-14(11)6-9/h2-8,18H,1H3,(H2,17,19)/t8-/m0/s1
InChIKeyVHESVJYJVXHWRP-QMMMGPOBSA-N
XLogP3.56
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 68796215
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
CID 41010161
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
(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
(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)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
(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-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 40918719
2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
4-hydroxybutan-2-yl 2-(6-chloro-9H-carbazol-2-yl)propanoate;3-hydroxybutyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 129318810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide (CID 71483149) is (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide is C[C@H](C(N)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide?
The InChIKey is VHESVJYJVXHWRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-8(15(17)19)9-2-4-11-12-7-10(16)3-5-13(12)18-14(11)6-9/h2-8,18H,1H3,(H2,17,19)/t8-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide?
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide has a molecular weight of 272.74 g/mol, XLogP of 3.56, 2 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)propanamide is sourced from PubChem (CID 71483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).