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

C18H20ClN3O2 — CID 54809400

IUPAC4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-10-20-18(24)13-6-8-15(9-7-13)22-17(23)12-21-16-5-3-4-14(19)11-16/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMJAIRVWKISVKAF-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.53
Rot. Bonds7

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

4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54809400) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54809400
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-10-20-18(24)13-6-8-15(9-7-13)22-17(23)12-21-16-5-3-4-14(19)11-16/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMJAIRVWKISVKAF-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
propyl 4-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54838891
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide (CID 54809400) is 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is MJAIRVWKISVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-10-20-18(24)13-6-8-15(9-7-13)22-17(23)12-21-16-5-3-4-14(19)11-16/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide?
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54809400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).