3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide

C18H17FN2O2 — CID 32637303

IUPAC3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c19-14-6-4-12(5-7-14)15-9-16(15)18(23)21-10-11-2-1-3-13(8-11)17(20)22/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeySBFIAWZAOCWBAP-HOTGVXAUSA-N
MW312.34 g/mol
LogP2.34
Rot. Bonds5

About 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide

3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 32637303) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID32637303
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c19-14-6-4-12(5-7-14)15-9-16(15)18(23)21-10-11-2-1-3-13(8-11)17(20)22/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeySBFIAWZAOCWBAP-HOTGVXAUSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-[(carbamoylamino)methyl]benzamide
CID 166184789
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688195
5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305
N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
CID 95338461
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide (CID 32637303) is 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide is NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is SBFIAWZAOCWBAP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-6-4-12(5-7-14)15-9-16(15)18(23)21-10-11-2-1-3-13(8-11)17(20)22/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1.
What are the key properties of 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 32637303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).