4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide

C15H13F2N3O3 — CID 26027108

IUPAC4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C15H13F2N3O3/c16-14(17)23-12-7-5-10(6-8-12)19-13(21)9-1-3-11(4-2-9)20-15(18)22/h1-8,14H,(H,19,21)(H3,18,20,22)
InChIKeyDQTABPMVJMTFHX-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.03
Rot. Bonds5

About 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide

4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 26027108) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID26027108
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C15H13F2N3O3/c16-14(17)23-12-7-5-10(6-8-12)19-13(21)9-1-3-11(4-2-9)20-15(18)22/h1-8,14H,(H,19,21)(H3,18,20,22)
InChIKeyDQTABPMVJMTFHX-UHFFFAOYSA-N
XLogP3.03
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
N-[4-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 2390885
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 43328663
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide (CID 26027108) is 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide is NC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is DQTABPMVJMTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c16-14(17)23-12-7-5-10(6-8-12)19-13(21)9-1-3-11(4-2-9)20-15(18)22/h1-8,14H,(H,19,21)(H3,18,20,22).
What are the key properties of 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide?
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 321.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 26027108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).