N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C19H20ClFN2O2 — CID 8770040

IUPACN-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-25-16-7-2-13(3-8-16)11-23(15-5-6-15)12-19(24)22-18-9-4-14(21)10-17(18)20/h2-4,7-10,15H,5-6,11-12H2,1H3,(H,22,24)
InChIKeyDXDRHMJEAFALNF-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.09
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 8770040) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID8770040
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-25-16-7-2-13(3-8-16)11-23(15-5-6-15)12-19(24)22-18-9-4-14(21)10-17(18)20/h2-4,7-10,15H,5-6,11-12H2,1H3,(H,22,24)
InChIKeyDXDRHMJEAFALNF-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
methyl 3-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-cyclopropylamino]-2-methylpropanoate
CID 71967887
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8906311
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 8770040) is N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)C2CC2)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is DXDRHMJEAFALNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-25-16-7-2-13(3-8-16)11-23(15-5-6-15)12-19(24)22-18-9-4-14(21)10-17(18)20/h2-4,7-10,15H,5-6,11-12H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 362.83 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8770040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).