cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide

C16H21FN2O3 — CID 97063399

IUPACcis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(F)c1
InChIInChI=1S/C16H21FN2O3/c1-22-10-7-8-11(13(17)9-10)16(21)19-14-6-4-2-3-5-12(14)15(18)20/h7-9,12,14H,2-6H2,1H3,(H2,18,20)(H,19,21)/t12-,14+/m1/s1
InChIKeyDJKMVSCLLPNVJU-OCCSQVGLSA-N
MW308.35 g/mol
LogP2.00
Rot. Bonds4

About cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide

cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide (PubChem CID 97063399) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
PubChem CID97063399
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namecis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(F)c1
InChIInChI=1S/C16H21FN2O3/c1-22-10-7-8-11(13(17)9-10)16(21)19-14-6-4-2-3-5-12(14)15(18)20/h7-9,12,14H,2-6H2,1H3,(H2,18,20)(H,19,21)/t12-,14+/m1/s1
InChIKeyDJKMVSCLLPNVJU-OCCSQVGLSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide (CID 97063399) is cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide is COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(F)c1.
What is the InChIKey of cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide?
The InChIKey is DJKMVSCLLPNVJU-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-22-10-7-8-11(13(17)9-10)16(21)19-14-6-4-2-3-5-12(14)15(18)20/h7-9,12,14H,2-6H2,1H3,(H2,18,20)(H,19,21)/t12-,14+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide?
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide is sourced from PubChem (CID 97063399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).