N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide

C14H20ClNO — CID 70795299

IUPACN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(14(2,3)4)13(17)16-9-11-6-5-7-12(15)8-11/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyFHLFVZDXKNOCEW-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide

N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide (PubChem CID 70795299) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
PubChem CID70795299
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(14(2,3)4)13(17)16-9-11-6-5-7-12(15)8-11/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyFHLFVZDXKNOCEW-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
N-[(3-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76946155
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide (CID 70795299) is N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide is CC(C(=O)NCc1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide?
The InChIKey is FHLFVZDXKNOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(14(2,3)4)13(17)16-9-11-6-5-7-12(15)8-11/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide?
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 70795299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).