N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide

C18H20ClN3O2 — CID 54810419

IUPACN-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-9-6-10-15(12(14)2)22-18(24)11-20-16-8-5-4-7-13(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJZAOTJWDNLVKDS-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide

N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54810419) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54810419
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccccc2Cl)c1C
InChIInChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-9-6-10-15(12(14)2)22-18(24)11-20-16-8-5-4-7-13(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJZAOTJWDNLVKDS-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide (CID 54810419) is N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccccc2Cl)c1C.
What is the InChIKey of N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is JZAOTJWDNLVKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-17(23)21-14-9-6-10-15(12(14)2)22-18(24)11-20-16-8-5-4-7-13(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54810419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).