4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C22H18Cl2N2O2 — CID 44593648

IUPAC4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyMDOZGPZABUSJAN-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.63
Rot. Bonds6

About 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 44593648) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID44593648
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyMDOZGPZABUSJAN-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 44593648) is 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is MDOZGPZABUSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27).
What are the key properties of 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 413.30 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 44593648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).