N-(2-butylphenyl)-2-chloroacetamide

C12H16ClNO — CID 150293597

IUPACN-(2-butylphenyl)-2-chloroacetamide
SMILESCCCCc1ccccc1NC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-2-3-6-10-7-4-5-8-11(10)14-12(15)9-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyGICQNVHZBKLFGJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.21
Rot. Bonds5

About N-(2-butylphenyl)-2-chloroacetamide

N-(2-butylphenyl)-2-chloroacetamide (PubChem CID 150293597) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-butylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-butylphenyl)-2-chloroacetamide
PubChem CID150293597
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(2-butylphenyl)-2-chloroacetamide
SMILESCCCCc1ccccc1NC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-2-3-6-10-7-4-5-8-11(10)14-12(15)9-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyGICQNVHZBKLFGJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992243
(2-heptadecylphenyl)carbamic acid
CID 71374202
(2-pentylphenyl)carbamothioic S-acid
CID 87699926
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
(2-butylphenyl)carbamodithioic acid;tungsten
CID 174689067
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
zinc bis(N-(2-butylphenyl)carbamodithioate)
CID 87339212
2-(2-butylanilino)ethanol
CID 139597188
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(3-butyl-2-chlorophenyl)acetamide
CID 71304494

Frequently Asked Questions

What is the IUPAC name of N-(2-butylphenyl)-2-chloroacetamide?
The IUPAC name of N-(2-butylphenyl)-2-chloroacetamide (CID 150293597) is N-(2-butylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-butylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(2-butylphenyl)-2-chloroacetamide is CCCCc1ccccc1NC(=O)CCl.
What is the InChIKey of N-(2-butylphenyl)-2-chloroacetamide?
The InChIKey is GICQNVHZBKLFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-6-10-7-4-5-8-11(10)14-12(15)9-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15).
What are the key properties of N-(2-butylphenyl)-2-chloroacetamide?
N-(2-butylphenyl)-2-chloroacetamide has a molecular weight of 225.72 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylphenyl)-2-chloroacetamide is sourced from PubChem (CID 150293597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).