2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C24H24FN3O3 — CID 25387377

IUPAC2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc(F)c2)cc1
InChIInChI=1S/C24H24FN3O3/c1-16(17-6-5-7-18(25)14-17)26-15-23(29)28-22-9-4-3-8-21(22)24(30)27-19-10-12-20(31-2)13-11-19/h3-14,16,26H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1
InChIKeyXFPPWNCZXDMCNT-MRXNPFEDSA-N
MW421.47 g/mol
LogP4.38
Rot. Bonds8

About 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 25387377) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID25387377
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc(F)c2)cc1
InChIInChI=1S/C24H24FN3O3/c1-16(17-6-5-7-18(25)14-17)26-15-23(29)28-22-9-4-3-8-21(22)24(30)27-19-10-12-20(31-2)13-11-19/h3-14,16,26H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1
InChIKeyXFPPWNCZXDMCNT-MRXNPFEDSA-N
XLogP4.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 3649958
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 25387377) is 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2cccc(F)c2)cc1.
What is the InChIKey of 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is XFPPWNCZXDMCNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16(17-6-5-7-18(25)14-17)26-15-23(29)28-22-9-4-3-8-21(22)24(30)27-19-10-12-20(31-2)13-11-19/h3-14,16,26H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 421.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 25387377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).