2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide

C23H29FN2O3 — CID 9300301

IUPAC2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C23H29FN2O3/c1-28-20-12-13-21(22(14-20)29-2)25-23(27)16-26(19-6-4-3-5-7-19)15-17-8-10-18(24)11-9-17/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27)
InChIKeyDYYBSVGUFZCRDV-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.62
Rot. Bonds8

About 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide

2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 9300301) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID9300301
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C23H29FN2O3/c1-28-20-12-13-21(22(14-20)29-2)25-23(27)16-26(19-6-4-3-5-7-19)15-17-8-10-18(24)11-9-17/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27)
InChIKeyDYYBSVGUFZCRDV-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233514
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 9300301) is 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c(OC)c1.
What is the InChIKey of 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is DYYBSVGUFZCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-28-20-12-13-21(22(14-20)29-2)25-23(27)16-26(19-6-4-3-5-7-19)15-17-8-10-18(24)11-9-17/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 400.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9300301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).