N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide

C16H15F2N3O2 — CID 47034204

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H15F2N3O2/c1-9(10-2-5-12(6-3-10)21-16(19)23)20-15(22)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,20,22)(H3,19,21,23)
InChIKeyXIVHIEAIYQSRLS-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.95
Rot. Bonds4

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide (PubChem CID 47034204) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
PubChem CID47034204
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)c(F)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H15F2N3O2/c1-9(10-2-5-12(6-3-10)21-16(19)23)20-15(22)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,20,22)(H3,19,21,23)
InChIKeyXIVHIEAIYQSRLS-UHFFFAOYSA-N
XLogP2.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 55962435
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide (CID 47034204) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide is CC(NC(=O)c1ccc(F)c(F)c1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide?
The InChIKey is XIVHIEAIYQSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-9(10-2-5-12(6-3-10)21-16(19)23)20-15(22)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,20,22)(H3,19,21,23).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide has a molecular weight of 319.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 47034204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).