2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H18ClN3O2 — CID 61476340

IUPAC2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN3O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYTVARWKLKDWHHC-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 61476340) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID61476340
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN3O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYTVARWKLKDWHHC-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 63185587
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
4-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107025287
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 61476340) is 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is YTVARWKLKDWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 61476340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).