N-butyl-N-(3-chlorophenyl)-2-methylpropanamide

C14H20ClNO — CID 18736118

IUPACN-butyl-N-(3-chlorophenyl)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-5-9-16(14(17)11(2)3)13-8-6-7-12(15)10-13/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyIPQDSGSEEIJLLJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.13
Rot. Bonds5

About N-butyl-N-(3-chlorophenyl)-2-methylpropanamide

N-butyl-N-(3-chlorophenyl)-2-methylpropanamide (PubChem CID 18736118) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-butyl-N-(3-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-(3-chlorophenyl)-2-methylpropanamide
PubChem CID18736118
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-butyl-N-(3-chlorophenyl)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-4-5-9-16(14(17)11(2)3)13-8-6-7-12(15)10-13/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyIPQDSGSEEIJLLJ-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-(3-chlorophenyl)-2,3-dimethylbutanamide
CID 71106740
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-(3-chlorophenyl)-N-heptan-2-yl-2-methylbutanamide
CID 71107165
N-butyl-3-chloro-N-phenylaniline
CID 23348476
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
3-bromopropyl-(3-chlorophenyl)carbamic acid
CID 57372411
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
N-(3-chlorophenyl)-N-heptan-4-yl-2-methylbutanamide
CID 71107318
N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54690848

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-butyl-N-(3-chlorophenyl)-2-methylpropanamide (CID 18736118) is N-butyl-N-(3-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-(3-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-butyl-N-(3-chlorophenyl)-2-methylpropanamide is CCCCN(C(=O)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-N-(3-chlorophenyl)-2-methylpropanamide?
The InChIKey is IPQDSGSEEIJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-5-9-16(14(17)11(2)3)13-8-6-7-12(15)10-13/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of N-butyl-N-(3-chlorophenyl)-2-methylpropanamide?
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 18736118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).