5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride

C14H21Cl2N3O2 — CID 119286908

IUPAC5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-8(2)12(16)13(19)17-9-5-6-11(15)10(7-9)14(20)18(3)4;/h5-8,12H,16H2,1-4H3,(H,17,19);1H
InChIKeyWXDIYEWJGXDMBB-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.39
Rot. Bonds4

About 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride

5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119286908) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
PubChem CID119286908
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-8(2)12(16)13(19)17-9-5-6-11(15)10(7-9)14(20)18(3)4;/h5-8,12H,16H2,1-4H3,(H,17,19);1H
InChIKeyWXDIYEWJGXDMBB-UHFFFAOYSA-N
XLogP2.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
CID 111432348
2-chloro-5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-N,N-dimethylbenzamide
CID 122132710
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808600
5-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]-2-chloro-N,N-dimethylbenzamide
CID 55930943
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxybenzoic acid
CID 79012462
5-[(2-amino-3-methylbutanoyl)amino]-2-hydroxybenzoic acid
CID 61159504

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride (CID 119286908) is 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride is CC(C)C(N)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is WXDIYEWJGXDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-8(2)12(16)13(19)17-9-5-6-11(15)10(7-9)14(20)18(3)4;/h5-8,12H,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride?
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119286908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).