4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

C9H13ClN2O2 — CID 130921065

IUPAC4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(O)C(C)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O2/c1-5(6(2)13)12-9(14)8-3-7(10)4-11-8/h3-6,11,13H,1-2H3,(H,12,14)
InChIKeyRSPQCBCCYRUIMC-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.17
Rot. Bonds3

About 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 130921065) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID130921065
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(O)C(C)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O2/c1-5(6(2)13)12-9(14)8-3-7(10)4-11-8/h3-6,11,13H,1-2H3,(H,12,14)
InChIKeyRSPQCBCCYRUIMC-UHFFFAOYSA-N
XLogP1.17
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107
methyl 2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate
CID 43422679
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 30064551
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61143092
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467839
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 39996078
4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
(2R)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 94540993

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (CID 130921065) is 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is CC(O)C(C)NC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is RSPQCBCCYRUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(6(2)13)12-9(14)8-3-7(10)4-11-8/h3-6,11,13H,1-2H3,(H,12,14).
What are the key properties of 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 130921065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).