N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide

C14H15ClN2O — CID 46261845

IUPACN-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-11-4-5-13(12(15)10-11)16-14(18)6-9-17-7-2-3-8-17/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)
InChIKeyAIJFJZNVVJOZSC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.48
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide

N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46261845) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46261845
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-11-4-5-13(12(15)10-11)16-14(18)6-9-17-7-2-3-8-17/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)
InChIKeyAIJFJZNVVJOZSC-UHFFFAOYSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
(3S)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709707
(3R)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709708
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847
[2-(2-chloro-4-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060956
1-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065987
N-(2-chloro-4-methylphenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 42991928
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46261845) is N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)CCn2cccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is AIJFJZNVVJOZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-11-4-5-13(12(15)10-11)16-14(18)6-9-17-7-2-3-8-17/h2-5,7-8,10H,6,9H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide?
N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 262.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46261845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).