N-butyl-2,2-dichloro-N-phenylacetamide

C12H15Cl2NO — CID 4539736

IUPACN-butyl-2,2-dichloro-N-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-9-15(12(16)11(13)14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyYHFBSDCEZKDDNV-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.62
Rot. Bonds5

About N-butyl-2,2-dichloro-N-phenylacetamide

N-butyl-2,2-dichloro-N-phenylacetamide (PubChem CID 4539736) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-N-phenylacetamide
PubChem CID4539736
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-butyl-2,2-dichloro-N-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-9-15(12(16)11(13)14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyYHFBSDCEZKDDNV-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
N-butyl-N-phenylprop-2-enamide
CID 43619884
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
octyl(phenyl)carbamic acid
CID 54301990
N-butyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-phenylbutanamide
CID 77047541
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
N-hexyl-N-phenylacetamide
CID 13217997
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide
CID 64586962

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-N-phenylacetamide?
The IUPAC name of N-butyl-2,2-dichloro-N-phenylacetamide (CID 4539736) is N-butyl-2,2-dichloro-N-phenylacetamide.
What is the SMILES notation for N-butyl-2,2-dichloro-N-phenylacetamide?
The canonical SMILES for N-butyl-2,2-dichloro-N-phenylacetamide is CCCCN(C(=O)C(Cl)Cl)c1ccccc1.
What is the InChIKey of N-butyl-2,2-dichloro-N-phenylacetamide?
The InChIKey is YHFBSDCEZKDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-3-9-15(12(16)11(13)14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3.
What are the key properties of N-butyl-2,2-dichloro-N-phenylacetamide?
N-butyl-2,2-dichloro-N-phenylacetamide has a molecular weight of 260.16 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dichloro-N-phenylacetamide is sourced from PubChem (CID 4539736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).