N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide

C17H15F2N3O2 — CID 52559092

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)NC1CC1
InChIInChI=1S/C17H15F2N3O2/c18-11-7-10(8-12(19)9-11)16(23)20-13-1-3-14(4-2-13)21-17(24)22-15-5-6-15/h1-4,7-9,15H,5-6H2,(H,20,23)(H2,21,22,24)
InChIKeyRDAFXTQWKFOTTE-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide (PubChem CID 52559092) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
PubChem CID52559092
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)NC1CC1
InChIInChI=1S/C17H15F2N3O2/c18-11-7-10(8-12(19)9-11)16(23)20-13-1-3-14(4-2-13)21-17(24)22-15-5-6-15/h1-4,7-9,15H,5-6H2,(H,20,23)(H2,21,22,24)
InChIKeyRDAFXTQWKFOTTE-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide (CID 52559092) is N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide is O=C(Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide?
The InChIKey is RDAFXTQWKFOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-11-7-10(8-12(19)9-11)16(23)20-13-1-3-14(4-2-13)21-17(24)22-15-5-6-15/h1-4,7-9,15H,5-6H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide has a molecular weight of 331.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 52559092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).