N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide

C15H21FN2O2 — CID 106124416

IUPACN-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CCC(N)CC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-9-10-2-5-12(17)6-3-10/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyJWVSDKIHDOZTTH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.08
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide

N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide (PubChem CID 106124416) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
PubChem CID106124416
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CCC(N)CC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-9-10-2-5-12(17)6-3-10/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyJWVSDKIHDOZTTH-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide (CID 106124416) is N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCC2CCC(N)CC2)ccc1F.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is JWVSDKIHDOZTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-9-10-2-5-12(17)6-3-10/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide?
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 106124416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).