2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

C18H12ClF2N3O2 — CID 39951792

IUPAC2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H12ClF2N3O2/c1-24-7-6-22-17(24)16(25)10-2-4-11(5-3-10)23-18(26)12-8-14(20)15(21)9-13(12)19/h2-9H,1H3,(H,23,26)
InChIKeyRXQBEWNFNOKSEK-UHFFFAOYSA-N
MW375.76 g/mol
LogP3.84
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 39951792) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID39951792
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H12ClF2N3O2/c1-24-7-6-22-17(24)16(25)10-2-4-11(5-3-10)23-18(26)12-8-14(20)15(21)9-13(12)19/h2-9H,1H3,(H,23,26)
InChIKeyRXQBEWNFNOKSEK-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 82772383
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 55942671
3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 17429559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 39951792) is 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is RXQBEWNFNOKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c1-24-7-6-22-17(24)16(25)10-2-4-11(5-3-10)23-18(26)12-8-14(20)15(21)9-13(12)19/h2-9H,1H3,(H,23,26).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide has a molecular weight of 375.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 39951792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).