2-[(4-butylanilino)methyl]benzamide

C18H22N2O — CID 43378453

IUPAC2-[(4-butylanilino)methyl]benzamide
SMILESCCCCc1ccc(NCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-6-14-9-11-16(12-10-14)20-13-15-7-4-5-8-17(15)18(19)21/h4-5,7-12,20H,2-3,6,13H2,1H3,(H2,19,21)
InChIKeyWFGQVFLCFKEMEQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.74
Rot. Bonds7

About 2-[(4-butylanilino)methyl]benzamide

2-[(4-butylanilino)methyl]benzamide (PubChem CID 43378453) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(4-butylanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-butylanilino)methyl]benzamide
PubChem CID43378453
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(4-butylanilino)methyl]benzamide
SMILESCCCCc1ccc(NCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-6-14-9-11-16(12-10-14)20-13-15-7-4-5-8-17(15)18(19)21/h4-5,7-12,20H,2-3,6,13H2,1H3,(H2,19,21)
InChIKeyWFGQVFLCFKEMEQ-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylbenzamide
CID 15468173
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-octylbenzamide
CID 11148995
N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 3572767
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
2-(4-butylanilino)benzenecarbothioamide
CID 43378508
N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylanilino)methyl]benzamide?
The IUPAC name of 2-[(4-butylanilino)methyl]benzamide (CID 43378453) is 2-[(4-butylanilino)methyl]benzamide.
What is the SMILES notation for 2-[(4-butylanilino)methyl]benzamide?
The canonical SMILES for 2-[(4-butylanilino)methyl]benzamide is CCCCc1ccc(NCc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-butylanilino)methyl]benzamide?
The InChIKey is WFGQVFLCFKEMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-6-14-9-11-16(12-10-14)20-13-15-7-4-5-8-17(15)18(19)21/h4-5,7-12,20H,2-3,6,13H2,1H3,(H2,19,21).
What are the key properties of 2-[(4-butylanilino)methyl]benzamide?
2-[(4-butylanilino)methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylanilino)methyl]benzamide is sourced from PubChem (CID 43378453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).