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

C19H22ClN3O2 — CID 54814911

IUPACN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1C
InChIInChI=1S/C19H22ClN3O2/c1-4-18(24)22-16-9-6-10-17(13(16)3)23-19(25)11-21-15-8-5-7-14(20)12(15)2/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRTLUCVSDKJIPDO-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.36
Rot. Bonds6

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

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54814911) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54814911
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1C
InChIInChI=1S/C19H22ClN3O2/c1-4-18(24)22-16-9-6-10-17(13(16)3)23-19(25)11-21-15-8-5-7-14(20)12(15)2/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRTLUCVSDKJIPDO-UHFFFAOYSA-N
XLogP4.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide (CID 54814911) is N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1C.
What is the InChIKey of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is RTLUCVSDKJIPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-18(24)22-16-9-6-10-17(13(16)3)23-19(25)11-21-15-8-5-7-14(20)12(15)2/h5-10,21H,4,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 359.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54814911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).