N-butyl-2,2,2-trichloro-N-phenylacetamide

C12H14Cl3NO — CID 17256799

IUPACN-butyl-2,2,2-trichloro-N-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H14Cl3NO/c1-2-3-9-16(11(17)12(13,14)15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyOAHLYECHZPAFLE-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.19
Rot. Bonds4

About N-butyl-2,2,2-trichloro-N-phenylacetamide

N-butyl-2,2,2-trichloro-N-phenylacetamide (PubChem CID 17256799) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is N-butyl-2,2,2-trichloro-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trichloro-N-phenylacetamide
PubChem CID17256799
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC NameN-butyl-2,2,2-trichloro-N-phenylacetamide
SMILESCCCCN(C(=O)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C12H14Cl3NO/c1-2-3-9-16(11(17)12(13,14)15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyOAHLYECHZPAFLE-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.19
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

3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-butyl-N-phenylprop-2-enamide
CID 43619884
octyl(phenyl)carbamic acid
CID 54301990
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
N-hexyl-N-phenylacetamide
CID 13217997
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
O-ethyl N-butyl-N-phenylcarbamothioate
CID 154107211
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trichloro-N-phenylacetamide?
The IUPAC name of N-butyl-2,2,2-trichloro-N-phenylacetamide (CID 17256799) is N-butyl-2,2,2-trichloro-N-phenylacetamide.
What is the SMILES notation for N-butyl-2,2,2-trichloro-N-phenylacetamide?
The canonical SMILES for N-butyl-2,2,2-trichloro-N-phenylacetamide is CCCCN(C(=O)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-butyl-2,2,2-trichloro-N-phenylacetamide?
The InChIKey is OAHLYECHZPAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-2-3-9-16(11(17)12(13,14)15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of N-butyl-2,2,2-trichloro-N-phenylacetamide?
N-butyl-2,2,2-trichloro-N-phenylacetamide has a molecular weight of 294.61 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trichloro-N-phenylacetamide is sourced from PubChem (CID 17256799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).