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

C13H18ClNO2 — CID 106155031

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
SMILESCOCC(CCCl)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-17-10-12(7-8-14)15-13(16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)
InChIKeyFNBPCKAVIOXARX-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.99
Rot. Bonds7

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

N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide (PubChem CID 106155031) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
PubChem CID106155031
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
SMILESCOCC(CCCl)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-17-10-12(7-8-14)15-13(16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)
InChIKeyFNBPCKAVIOXARX-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.99
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-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168
N-benzyl-4-chloro-1-methoxybutan-2-amine
CID 106152824
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
N-hexan-3-yl-2-phenylacetamide
CID 129166933

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide (CID 106155031) is N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide is COCC(CCCl)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide?
The InChIKey is FNBPCKAVIOXARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-10-12(7-8-14)15-13(16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide?
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide has a molecular weight of 255.75 g/mol, XLogP of 1.99, 7 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)-2-phenylacetamide is sourced from PubChem (CID 106155031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).