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

C23H20ClFN2O2 — CID 59689109

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C23H20ClFN2O2/c1-15-13-18(9-12-20(15)25)23(29)26-14-21(28)27-22(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17/h2-13,22H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyYRPBKPXXCQLBLT-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.42
Rot. Bonds6

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

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide (PubChem CID 59689109) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
PubChem CID59689109
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C23H20ClFN2O2/c1-15-13-18(9-12-20(15)25)23(29)26-14-21(28)27-22(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17/h2-13,22H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyYRPBKPXXCQLBLT-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 59689121
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112772541
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25358256
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78841975
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide (CID 59689109) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is YRPBKPXXCQLBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-15-13-18(9-12-20(15)25)23(29)26-14-21(28)27-22(16-5-3-2-4-6-16)17-7-10-19(24)11-8-17/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]-4-fluoro-3-methylbenzamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 59689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).