N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide

C15H15ClN2O — CID 110468468

IUPACN-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C15H15ClN2O/c1-11-13(16)3-2-4-14(11)18-15(19)6-5-12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyAMBZCJUJDGGQDN-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.61
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide

N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide (PubChem CID 110468468) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
PubChem CID110468468
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C15H15ClN2O/c1-11-13(16)3-2-4-14(11)18-15(19)6-5-12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyAMBZCJUJDGGQDN-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815243
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide (CID 110468468) is N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide is Cc1c(Cl)cccc1NC(=O)CCc1ccncc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is AMBZCJUJDGGQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-13(16)3-2-4-14(11)18-15(19)6-5-12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide?
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 274.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110468468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).