N-(4-chloro-1H-pyrrol-3-yl)acetamide

C6H7ClN2O — CID 118026096

IUPACN-(4-chloro-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1c[nH]cc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4(10)9-6-3-8-2-5(6)7/h2-3,8H,1H3,(H,9,10)
InChIKeyRRDCYKHQDQLQQJ-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.63
Rot. Bonds1

About N-(4-chloro-1H-pyrrol-3-yl)acetamide

N-(4-chloro-1H-pyrrol-3-yl)acetamide (PubChem CID 118026096) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is N-(4-chloro-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1H-pyrrol-3-yl)acetamide
PubChem CID118026096
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC NameN-(4-chloro-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1c[nH]cc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4(10)9-6-3-8-2-5(6)7/h2-3,8H,1H3,(H,9,10)
InChIKeyRRDCYKHQDQLQQJ-UHFFFAOYSA-N
XLogP1.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide
CID 167302174
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-[2-(methylamino)phenyl]acetamide
CID 22950987
2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
CID 91622942
3-acetamido-5-chloro-4-methylbenzoate
CID 7601901
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
4-acetamido-3-chlorobenzoate
CID 6920708

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(4-chloro-1H-pyrrol-3-yl)acetamide (CID 118026096) is N-(4-chloro-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-1H-pyrrol-3-yl)acetamide is CC(=O)Nc1c[nH]cc1Cl.
What is the InChIKey of N-(4-chloro-1H-pyrrol-3-yl)acetamide?
The InChIKey is RRDCYKHQDQLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4(10)9-6-3-8-2-5(6)7/h2-3,8H,1H3,(H,9,10).
What are the key properties of N-(4-chloro-1H-pyrrol-3-yl)acetamide?
N-(4-chloro-1H-pyrrol-3-yl)acetamide has a molecular weight of 158.59 g/mol, XLogP of 1.63, 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-3-yl)acetamide is sourced from PubChem (CID 118026096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).