N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide

C17H11ClF4N2O2 — CID 71890363

IUPACN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Cl
InChIInChI=1S/C17H11ClF4N2O2/c18-11-4-3-8(5-9(11)16(25)23-7-1-2-7)24-17(26)10-6-12(19)14(21)15(22)13(10)20/h3-7H,1-2H2,(H,23,25)(H,24,26)
InChIKeyAAOYWSXASFELHJ-UHFFFAOYSA-N
MW386.73 g/mol
LogP4.04
Rot. Bonds4

About N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 71890363) has the molecular formula C17H11ClF4N2O2 and a molecular weight of 386.73 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID71890363
Molecular FormulaC17H11ClF4N2O2
Molecular Weight386.73 g/mol
Exact Mass386.04
IUPAC NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Cl
InChIInChI=1S/C17H11ClF4N2O2/c18-11-4-3-8(5-9(11)16(25)23-7-1-2-7)24-17(26)10-6-12(19)14(21)15(22)13(10)20/h3-7H,1-2H2,(H,23,25)(H,24,26)
InChIKeyAAOYWSXASFELHJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.73
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trifluorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
CID 142741932
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide (CID 71890363) is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide is O=C(NC1CC1)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is AAOYWSXASFELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O2/c18-11-4-3-8(5-9(11)16(25)23-7-1-2-7)24-17(26)10-6-12(19)14(21)15(22)13(10)20/h3-7H,1-2H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 386.73 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 71890363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).