N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide

C23H20ClFN2O3 — CID 59689128

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C23H20ClFN2O3/c1-30-20-12-9-17(13-19(20)25)23(29)26-14-21(28)27-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyYTIVOCGDHNLHJG-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.12
Rot. Bonds7

About N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 59689128) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
PubChem CID59689128
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C23H20ClFN2O3/c1-30-20-12-9-17(13-19(20)25)23(29)26-14-21(28)27-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyYTIVOCGDHNLHJG-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112772541
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163422
methyl (3R)-3-[[2-[(3,4-difluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 52505542
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide (CID 59689128) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is YTIVOCGDHNLHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-30-20-12-9-17(13-19(20)25)23(29)26-14-21(28)27-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 426.88 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 59689128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).