N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide

C12H17ClN2O — CID 65191606

IUPACN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
SMILESCC(C)C(CN)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-8(2)11(7-14)15-12(16)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyZVQKDKUKQBZVPB-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.05
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide

N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide (PubChem CID 65191606) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
PubChem CID65191606
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
SMILESCC(C)C(CN)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-8(2)11(7-14)15-12(16)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyZVQKDKUKQBZVPB-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
CID 70989888
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
CID 145361374
3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide (CID 65191606) is N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide is CC(C)C(CN)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide?
The InChIKey is ZVQKDKUKQBZVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)11(7-14)15-12(16)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide?
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide has a molecular weight of 240.73 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 65191606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).