4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide

C24H23FN2O5 — CID 55583447

IUPAC4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H23FN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyCDRRCWRODNSQGR-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.23
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide (PubChem CID 55583447) has the molecular formula C24H23FN2O5 and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
PubChem CID55583447
Molecular FormulaC24H23FN2O5
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H23FN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyCDRRCWRODNSQGR-UHFFFAOYSA-N
XLogP3.23
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-3-methylbutanoic acid
CID 119169977
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
CID 55429630
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide (CID 55583447) is 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
The InChIKey is CDRRCWRODNSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5/c1-30-19-12-17(13-20(31-2)23(19)32-14-21(26)28)24(29)27-22(15-6-4-3-5-7-15)16-8-10-18(25)11-9-16/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide has a molecular weight of 438.46 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55583447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).