3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C13H18ClN3O2 — CID 112687782

IUPAC3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)7-17-13(19)9-3-10(14)5-11(15)4-9/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPDDAUXKWDANKF-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 112687782) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID112687782
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)7-17-13(19)9-3-10(14)5-11(15)4-9/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPDDAUXKWDANKF-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 110486765
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
3-amino-5-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179693
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
3-amino-5-chloro-N-(5-methoxypentyl)benzamide
CID 114129389
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 112687782) is 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is CC(C)CNC(=O)CNC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is HPDDAUXKWDANKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)7-17-13(19)9-3-10(14)5-11(15)4-9/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112687782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).