3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide

C13H18ClN3O2 — CID 65225825

IUPAC3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide
SMILESCC(C)C(CN)C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-7(2)9(6-15)13(19)17-11-5-8(12(16)18)3-4-10(11)14/h3-5,7,9H,6,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMYSXOSFBACQROX-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.61
Rot. Bonds5

About 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide

3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide (PubChem CID 65225825) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide
PubChem CID65225825
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide
SMILESCC(C)C(CN)C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-7(2)9(6-15)13(19)17-11-5-8(12(16)18)3-4-10(11)14/h3-5,7,9H,6,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMYSXOSFBACQROX-UHFFFAOYSA-N
XLogP1.61
TPSA98.21 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 ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide 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

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-chlorobenzamide
CID 61174061
2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
CID 60847978
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
CID 65229324
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
ethyl 4-chloro-3-[[3-(2-chloro-5-ethoxycarbonylanilino)-2-methyl-3-oxopropanoyl]amino]benzoate
CID 20719550
2-(aminomethyl)-3-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62814873
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
CID 112604455
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide?
The IUPAC name of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide (CID 65225825) is 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide is CC(C)C(CN)C(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide?
The InChIKey is MYSXOSFBACQROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-7(2)9(6-15)13(19)17-11-5-8(12(16)18)3-4-10(11)14/h3-5,7,9H,6,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide?
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-4-chlorobenzamide is sourced from PubChem (CID 65225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).