4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

C18H19Cl2N3O2 — CID 55917656

IUPAC4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-9-21-18(25)15-8-5-13(20)10-16(15)22-11-17(24)23-14-6-3-12(19)4-7-14/h3-8,10,22H,2,9,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyOXAFTWBSQVJSDI-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.18
Rot. Bonds7

About 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 55917656) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID55917656
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-9-21-18(25)15-8-5-13(20)10-16(15)22-11-17(24)23-14-6-3-12(19)4-7-14/h3-8,10,22H,2,9,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyOXAFTWBSQVJSDI-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 55917656) is 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is OXAFTWBSQVJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-9-21-18(25)15-8-5-13(20)10-16(15)22-11-17(24)23-14-6-3-12(19)4-7-14/h3-8,10,22H,2,9,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55917656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).