2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide

C27H24ClFN4O2 — CID 42923150

IUPAC2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccnc1C(NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C27H24ClFN4O2/c1-33-15-14-30-26(33)25(19-10-7-11-20(29)16-19)32-24(34)17-23(18-8-3-2-4-9-18)31-27(35)21-12-5-6-13-22(21)28/h2-16,23,25H,17H2,1H3,(H,31,35)(H,32,34)
InChIKeySTCHFGOIHLWOKS-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.98
Rot. Bonds8

About 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 42923150) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID42923150
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccnc1C(NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C27H24ClFN4O2/c1-33-15-14-30-26(33)25(19-10-7-11-20(29)16-19)32-24(34)17-23(18-8-3-2-4-9-18)31-27(35)21-12-5-6-13-22(21)28/h2-16,23,25H,17H2,1H3,(H,31,35)(H,32,34)
InChIKeySTCHFGOIHLWOKS-UHFFFAOYSA-N
XLogP4.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
2-(2-chloro-4-phenylphenoxy)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24625665
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 24625692
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 42923150) is 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide is Cn1ccnc1C(NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is STCHFGOIHLWOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-33-15-14-30-26(33)25(19-10-7-11-20(29)16-19)32-24(34)17-23(18-8-3-2-4-9-18)31-27(35)21-12-5-6-13-22(21)28/h2-16,23,25H,17H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 490.97 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 42923150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).