4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C12H11ClN2O2 — CID 115598815

IUPAC4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H11ClN2O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h1-5,7,14,16H,6H2,(H,15,17)
InChIKeyQXWPSACXHUQOFT-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.30
Rot. Bonds3

About 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 115598815) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID115598815
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H11ClN2O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h1-5,7,14,16H,6H2,(H,15,17)
InChIKeyQXWPSACXHUQOFT-UHFFFAOYSA-N
XLogP2.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47469164
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
2-[2-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318040
N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123042
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
4-chloro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129000910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 115598815) is 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QXWPSACXHUQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h1-5,7,14,16H,6H2,(H,15,17).
What are the key properties of 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115598815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).