N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide

C9H13ClN2O — CID 57094768

IUPACN-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)8(13)12-7-4-6(10)5-11-7/h4-5,11H,1-3H3,(H,12,13)
InChIKeyWPXUMWFMJMROMM-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.65
Rot. Bonds1

About N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide

N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide (PubChem CID 57094768) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide
PubChem CID57094768
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)8(13)12-7-4-6(10)5-11-7/h4-5,11H,1-3H3,(H,12,13)
InChIKeyWPXUMWFMJMROMM-UHFFFAOYSA-N
XLogP2.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
CID 4152349
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880578
N-[4-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]-2,2-dimethylpropanamide
CID 141148204
tert-butyl N-(5-chloro-2-oxo-1H-pyridin-3-yl)carbamate
CID 138675843
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110855396
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 59165851
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide (CID 57094768) is N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Cl)c[nH]1.
What is the InChIKey of N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is WPXUMWFMJMROMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(2,3)8(13)12-7-4-6(10)5-11-7/h4-5,11H,1-3H3,(H,12,13).
What are the key properties of N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide?
N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 200.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-pyrrol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 57094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).