5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide

C18H20F2N2O — CID 120638122

IUPAC5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C18H20F2N2O/c1-10(2)17(14-7-5-12(19)8-16(14)20)22-18(23)15-9-13(21)6-4-11(15)3/h4-10,17H,21H2,1-3H3,(H,22,23)
InChIKeyYOHBHMHRMNLHSE-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.98
Rot. Bonds4

About 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide

5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide (PubChem CID 120638122) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide
PubChem CID120638122
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C18H20F2N2O/c1-10(2)17(14-7-5-12(19)8-16(14)20)22-18(23)15-9-13(21)6-4-11(15)3/h4-10,17H,21H2,1-3H3,(H,22,23)
InChIKeyYOHBHMHRMNLHSE-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
(5-amino-2-methylphenyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 120646250
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124854398
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
CID 120626395

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide (CID 120638122) is 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(c1ccc(F)cc1F)C(C)C.
What is the InChIKey of 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide?
The InChIKey is YOHBHMHRMNLHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-10(2)17(14-7-5-12(19)8-16(14)20)22-18(23)15-9-13(21)6-4-11(15)3/h4-10,17H,21H2,1-3H3,(H,22,23).
What are the key properties of 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide?
5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide is sourced from PubChem (CID 120638122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).