N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide

C22H28FN3O — CID 42815503

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
SMILESCN(C)c1ccc(N)cc1CN(C(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H28FN3O/c1-25(2)21-13-12-19(24)14-17(21)15-26(20-6-4-3-5-7-20)22(27)16-8-10-18(23)11-9-16/h8-14,20H,3-7,15,24H2,1-2H3
InChIKeyRTMZJEHXLAEWND-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.45
Rot. Bonds5

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide (PubChem CID 42815503) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
PubChem CID42815503
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
SMILESCN(C)c1ccc(N)cc1CN(C(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H28FN3O/c1-25(2)21-13-12-19(24)14-17(21)15-26(20-6-4-3-5-7-20)22(27)16-8-10-18(23)11-9-16/h8-14,20H,3-7,15,24H2,1-2H3
InChIKeyRTMZJEHXLAEWND-UHFFFAOYSA-N
XLogP4.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-tert-butyl-1-cyclohexylurea
CID 24718384
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
CID 42815477
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
N-cyclohexyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762619
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide (CID 42815503) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide is CN(C)c1ccc(N)cc1CN(C(=O)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide?
The InChIKey is RTMZJEHXLAEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(2)21-13-12-19(24)14-17(21)15-26(20-6-4-3-5-7-20)22(27)16-8-10-18(23)11-9-16/h8-14,20H,3-7,15,24H2,1-2H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide has a molecular weight of 369.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide is sourced from PubChem (CID 42815503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).