N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide

C16H17ClN2O2 — CID 110011756

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1cccn1C1CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-5-3-11(4-6-12)14(10-20)18-16(21)15-2-1-9-19(15)13-7-8-13/h1-6,9,13-14,20H,7-8,10H2,(H,18,21)
InChIKeyGWGXZEAHVTVRPT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 110011756) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID110011756
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1cccn1C1CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-5-3-11(4-6-12)14(10-20)18-16(21)15-2-1-9-19(15)13-7-8-13/h1-6,9,13-14,20H,7-8,10H2,(H,18,21)
InChIKeyGWGXZEAHVTVRPT-UHFFFAOYSA-N
XLogP2.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 110008236
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
CID 43639324
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
CID 107824874
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2,6-dimethyloxane-4-carboxamide
CID 110004493
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 166309726

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide (CID 110011756) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide is O=C(NC(CO)c1ccc(Cl)cc1)c1cccn1C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is GWGXZEAHVTVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-5-3-11(4-6-12)14(10-20)18-16(21)15-2-1-9-19(15)13-7-8-13/h1-6,9,13-14,20H,7-8,10H2,(H,18,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 110011756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).