4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C19H22ClN3O2 — CID 54840290

IUPAC4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C19H22ClN3O2/c1-12(2)22-19(25)14-5-8-16(9-6-14)21-11-18(24)23-17-10-15(20)7-4-13(17)3/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLMVKNWVNFAGAKO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.84
Rot. Bonds6

About 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840290) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840290
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C19H22ClN3O2/c1-12(2)22-19(25)14-5-8-16(9-6-14)21-11-18(24)23-17-10-15(20)7-4-13(17)3/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLMVKNWVNFAGAKO-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 9083030

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54840290) is 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is LMVKNWVNFAGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12(2)22-19(25)14-5-8-16(9-6-14)21-11-18(24)23-17-10-15(20)7-4-13(17)3/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).