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

C14H11ClF2N2O2 — CID 43328663

IUPAC3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyVTGYOFURUXUEGM-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.78
Rot. Bonds4

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

3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 43328663) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID43328663
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESNc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyVTGYOFURUXUEGM-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
2-chloro-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 106501367
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide (CID 43328663) is 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide is Nc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is VTGYOFURUXUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-11-6-1-8(7-12(11)18)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide?
3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 312.70 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 43328663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).