3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide

C19H22ClN3O2 — CID 54815949

IUPAC3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-9-21-19(25)14-5-4-6-16(10-14)23-18(24)12-22-15-8-7-13(2)17(20)11-15/h4-8,10-11,22H,3,9,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyDRXBJWHCSDTZNY-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.84
Rot. Bonds7

About 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide

3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54815949) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54815949
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-9-21-19(25)14-5-4-6-16(10-14)23-18(24)12-22-15-8-7-13(2)17(20)11-15/h4-8,10-11,22H,3,9,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyDRXBJWHCSDTZNY-UHFFFAOYSA-N
XLogP3.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide (CID 54815949) is 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is DRXBJWHCSDTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-9-21-19(25)14-5-4-6-16(10-14)23-18(24)12-22-15-8-7-13(2)17(20)11-15/h4-8,10-11,22H,3,9,12H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide?
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54815949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).