4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

C18H19Cl2N3O2 — CID 52704581

IUPAC4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-8-21-18(25)15-7-6-13(20)10-16(15)22-11-17(24)23-14-5-3-4-12(19)9-14/h3-7,9-10,22H,2,8,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyRPSPTXAMMDUKMY-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.18
Rot. Bonds7

About 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 52704581) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID52704581
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-8-21-18(25)15-7-6-13(20)10-16(15)22-11-17(24)23-14-5-3-4-12(19)9-14/h3-7,9-10,22H,2,8,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyRPSPTXAMMDUKMY-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-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103465
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 52704581) is 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is RPSPTXAMMDUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-8-21-18(25)15-7-6-13(20)10-16(15)22-11-17(24)23-14-5-3-4-12(19)9-14/h3-7,9-10,22H,2,8,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(3-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-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 52704581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).