N-(4-chloro-1-methoxybutan-2-yl)benzamide

C12H16ClNO2 — CID 106154813

IUPACN-(4-chloro-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCCl)NC(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-16-9-11(7-8-13)14-12(15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)
InChIKeyXWBHHIIKNZLSCD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.06
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)benzamide

N-(4-chloro-1-methoxybutan-2-yl)benzamide (PubChem CID 106154813) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)benzamide
PubChem CID106154813
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCCl)NC(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-16-9-11(7-8-13)14-12(15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)
InChIKeyXWBHHIIKNZLSCD-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114151199
4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
CID 106155489
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)benzamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)benzamide (CID 106154813) is N-(4-chloro-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)benzamide is COCC(CCCl)NC(=O)c1ccccc1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)benzamide?
The InChIKey is XWBHHIIKNZLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-9-11(7-8-13)14-12(15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)benzamide?
N-(4-chloro-1-methoxybutan-2-yl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 106154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).