2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C19H16Cl2FN3O — CID 25346268

IUPAC2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-4-2-3-5-16(13)22)24-17(26)11-12-6-7-14(20)15(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyVDCMPKVZIKDABI-SFHVURJKSA-N
MW392.26 g/mol
LogP4.31
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25346268) has the molecular formula C19H16Cl2FN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25346268
Molecular FormulaC19H16Cl2FN3O
Molecular Weight392.26 g/mol
Exact Mass391.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-4-2-3-5-16(13)22)24-17(26)11-12-6-7-14(20)15(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyVDCMPKVZIKDABI-SFHVURJKSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528242
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25348091
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102508
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25346268) is 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is VDCMPKVZIKDABI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O/c1-25-9-8-23-19(25)18(13-4-2-3-5-16(13)22)24-17(26)11-12-6-7-14(20)15(21)10-12/h2-10,18H,11H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 392.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25346268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).