N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide

C12H17ClN2O — CID 65193516

IUPACN-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
SMILESCCC(CN)NC(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-10(7-14)15-12(16)9-5-4-8(2)11(13)6-9/h4-6,10H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyDEDSSEVOECGUNC-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.12
Rot. Bonds4

About N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide

N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide (PubChem CID 65193516) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
PubChem CID65193516
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
SMILESCCC(CN)NC(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-10(7-14)15-12(16)9-5-4-8(2)11(13)6-9/h4-6,10H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyDEDSSEVOECGUNC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-cyanobutan-2-yl)-4-methylbenzamide
CID 63195232
3-chloro-N-hex-5-yn-3-yl-4-methylbenzamide
CID 115647116
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
CID 63753720
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminobutan-2-yl)-3-methyl-4-nitrobenzamide
CID 65193829
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
(3S)-4-amino-3-[(3-chloro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 89468299
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide (CID 65193516) is N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide is CCC(CN)NC(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide?
The InChIKey is DEDSSEVOECGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-10(7-14)15-12(16)9-5-4-8(2)11(13)6-9/h4-6,10H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide?
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide has a molecular weight of 240.73 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 65193516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).