2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C19H17ClF2N2O3 — CID 2974799

IUPAC2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C19H17ClF2N2O3/c20-15-9-17(22)16(21)8-14(15)19(26)24-12-5-3-11(4-6-12)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeySBIOKWCYYITPBC-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 2974799) has the molecular formula C19H17ClF2N2O3 and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID2974799
Molecular FormulaC19H17ClF2N2O3
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Name2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C19H17ClF2N2O3/c20-15-9-17(22)16(21)8-14(15)19(26)24-12-5-3-11(4-6-12)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeySBIOKWCYYITPBC-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 4198331
2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 1328214
4-(butyrylamino)-N-(2-chlorobenzyl)benzamide
CID 978039
2-(4-chlorophenyl)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide
CID 1002176
2,4-dichloro-N-(4-chloro-2-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2941419
4-(butanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2952359
3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 15482202
N-(4-{[(2-Chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
CID 20954835
3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2925445
N-(4-{[(4-Methylphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide
CID 4198329
N-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 16000739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 2974799) is 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCC1CCCO1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is SBIOKWCYYITPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O3/c20-15-9-17(22)16(21)8-14(15)19(26)24-12-5-3-11(4-6-12)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 394.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).