(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide

C18H17ClN2O — CID 41062678

IUPAC(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O/c1-10(18(22)20-13-4-5-13)11-2-6-14-15-9-12(19)3-7-16(15)21-17(14)8-11/h2-3,6-10,13,21H,4-5H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyQTRJKFJXPLWEGN-JTQLQIEISA-N
MW312.80 g/mol
LogP4.36
Rot. Bonds3

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

(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide (PubChem CID 41062678) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
PubChem CID41062678
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O/c1-10(18(22)20-13-4-5-13)11-2-6-14-15-9-12(19)3-7-16(15)21-17(14)8-11/h2-3,6-10,13,21H,4-5H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyQTRJKFJXPLWEGN-JTQLQIEISA-N
XLogP4.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 41118330
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
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(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
(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
(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-(1H-1,2,4-triazol-5-yl)propanamide
CID 97266964
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
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 41062772
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide (CID 41062678) is (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide is C[C@H](C(=O)NC1CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide?
The InChIKey is QTRJKFJXPLWEGN-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-10(18(22)20-13-4-5-13)11-2-6-14-15-9-12(19)3-7-16(15)21-17(14)8-11/h2-3,6-10,13,21H,4-5H2,1H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide?
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 4.36, 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-cyclopropylpropanamide is sourced from PubChem (CID 41062678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).