3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide

C19H22ClN3O2 — CID 54838983

IUPAC3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-2-10-21-19(25)14-7-5-8-16(11-14)22-13-18(24)23-12-15-6-3-4-9-17(15)20/h3-9,11,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyUXSICSPJWAJUHO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.21
Rot. Bonds8

About 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54838983) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54838983
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-2-10-21-19(25)14-7-5-8-16(11-14)22-13-18(24)23-12-15-6-3-4-9-17(15)20/h3-9,11,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyUXSICSPJWAJUHO-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54832679
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
CID 54832394
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
N-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835394
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-(ethylamino)-N-propylbenzamide
CID 43676038

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide (CID 54838983) is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is UXSICSPJWAJUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-10-21-19(25)14-7-5-8-16(11-14)22-13-18(24)23-12-15-6-3-4-9-17(15)20/h3-9,11,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).