3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide

C15H12ClF2N3O3 — CID 26247982

IUPAC3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClF2N3O3/c16-11-7-10(4-5-12(11)24-14(17)18)20-13(22)8-2-1-3-9(6-8)21-15(19)23/h1-7,14H,(H,20,22)(H3,19,21,23)
InChIKeyULBYPIJZOJRHFA-UHFFFAOYSA-N
MW355.73 g/mol
LogP3.68
Rot. Bonds5

About 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide

3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide (PubChem CID 26247982) has the molecular formula C15H12ClF2N3O3 and a molecular weight of 355.73 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
PubChem CID26247982
Molecular FormulaC15H12ClF2N3O3
Molecular Weight355.73 g/mol
Exact Mass355.05
IUPAC Name3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClF2N3O3/c16-11-7-10(4-5-12(11)24-14(17)18)20-13(22)8-2-1-3-9(6-8)21-15(19)23/h1-7,14H,(H,20,22)(H3,19,21,23)
InChIKeyULBYPIJZOJRHFA-UHFFFAOYSA-N
XLogP3.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
CID 71913606
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide (CID 26247982) is 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide is NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is ULBYPIJZOJRHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O3/c16-11-7-10(4-5-12(11)24-14(17)18)20-13(22)8-2-1-3-9(6-8)21-15(19)23/h1-7,14H,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide?
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 355.73 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 26247982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).