N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide

C14H15ClN2O2 — CID 75508221

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccc[nH]1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-14(19,10-5-2-3-6-11(10)15)9-17-13(18)12-7-4-8-16-12/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyXIEDSEGNABGRBQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (PubChem CID 75508221) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
PubChem CID75508221
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccc[nH]1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-14(19,10-5-2-3-6-11(10)15)9-17-13(18)12-7-4-8-16-12/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyXIEDSEGNABGRBQ-UHFFFAOYSA-N
XLogP2.31
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-1-hydroxycyclopentane-1-carboxamide
CID 99702505
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 119035175
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
1-[2-(2-chlorophenyl)-2-hydroxypropyl]-3-[(4-cyanophenyl)methyl]urea
CID 86793254
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (CID 75508221) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is CC(O)(CNC(=O)c1ccc[nH]1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XIEDSEGNABGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-14(19,10-5-2-3-6-11(10)15)9-17-13(18)12-7-4-8-16-12/h2-8,16,19H,9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75508221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).