N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C19H18ClF2N3O3 — CID 46643858

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H18ClF2N3O3/c1-2-9-24-14-5-3-4-6-15(14)25(19(24)27)11-17(26)23-12-7-8-16(13(20)10-12)28-18(21)22/h3-8,10,18H,2,9,11H2,1H3,(H,23,26)
InChIKeyYDMQQOVHWCNXCM-UHFFFAOYSA-N
MW409.82 g/mol
LogP4.11
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 46643858) has the molecular formula C19H18ClF2N3O3 and a molecular weight of 409.82 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID46643858
Molecular FormulaC19H18ClF2N3O3
Molecular Weight409.82 g/mol
Exact Mass409.10
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H18ClF2N3O3/c1-2-9-24-14-5-3-4-6-15(14)25(19(24)27)11-17(26)23-12-7-8-16(13(20)10-12)28-18(21)22/h3-8,10,18H,2,9,11H2,1H3,(H,23,26)
InChIKeyYDMQQOVHWCNXCM-UHFFFAOYSA-N
XLogP4.11
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535665
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8892189
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
CID 43035304
2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55836005
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 46643858) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is YDMQQOVHWCNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3/c1-2-9-24-14-5-3-4-6-15(14)25(19(24)27)11-17(26)23-12-7-8-16(13(20)10-12)28-18(21)22/h3-8,10,18H,2,9,11H2,1H3,(H,23,26).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 409.82 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 46643858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).