N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide

C18H17FN2O2 — CID 46578980

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11-5-6-13(9-16(11)19)18(23)21-15-4-2-3-14(10-15)20-17(22)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEROKCNURJVBSY-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.73
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide (PubChem CID 46578980) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
PubChem CID46578980
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11-5-6-13(9-16(11)19)18(23)21-15-4-2-3-14(10-15)20-17(22)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEROKCNURJVBSY-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide (CID 46578980) is N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1F.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is UEROKCNURJVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-5-6-13(9-16(11)19)18(23)21-15-4-2-3-14(10-15)20-17(22)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 312.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 46578980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).