(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate

C19H18FNO4 — CID 31729487

IUPAC(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCOc1ccc(F)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FNO4/c1-24-17-9-6-15(20)10-14(17)11-25-19(23)13-4-7-16(8-5-13)21-18(22)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,21,22)
InChIKeyBOHLGKYBPNJHCW-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.54
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate

(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 31729487) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
PubChem CID31729487
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCOc1ccc(F)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FNO4/c1-24-17-9-6-15(20)10-14(17)11-25-19(23)13-4-7-16(8-5-13)21-18(22)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,21,22)
InChIKeyBOHLGKYBPNJHCW-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate 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-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 46669660
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792730
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate (CID 31729487) is (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate is COc1ccc(F)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is BOHLGKYBPNJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-24-17-9-6-15(20)10-14(17)11-25-19(23)13-4-7-16(8-5-13)21-18(22)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,21,22).
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate?
(5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 343.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 31729487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).