3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide

C13H18ClN3O2 — CID 79796922

IUPAC3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCCC(C)(N)C(=O)Nc1cc(C(=O)NC)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-4-13(2,15)12(19)17-10-7-8(11(18)16-3)5-6-9(10)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVBJRKFIXALNLTG-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide

3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide (PubChem CID 79796922) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
PubChem CID79796922
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCCC(C)(N)C(=O)Nc1cc(C(=O)NC)ccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-4-13(2,15)12(19)17-10-7-8(11(18)16-3)5-6-9(10)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVBJRKFIXALNLTG-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
CID 79797811
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
CID 47249430
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
methyl 2-[2-chloro-5-(methylcarbamoyl)anilino]butanoate
CID 115352751

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide (CID 79796922) is 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide is CCC(C)(N)C(=O)Nc1cc(C(=O)NC)ccc1Cl.
What is the InChIKey of 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide?
The InChIKey is VBJRKFIXALNLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-13(2,15)12(19)17-10-7-8(11(18)16-3)5-6-9(10)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide?
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 79796922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).