2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide

C22H18Cl2N2O4 — CID 17111369

IUPAC2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(25-21(27)13-30-16-9-6-14(23)7-10-16)8-11-19(20)26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNEUDGXVOPIFLD-UHFFFAOYSA-N
MW445.30 g/mol
LogP5.27
Rot. Bonds7

About 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide

2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide (PubChem CID 17111369) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
PubChem CID17111369
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(25-21(27)13-30-16-9-6-14(23)7-10-16)8-11-19(20)26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNEUDGXVOPIFLD-UHFFFAOYSA-N
XLogP5.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4014221
2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1313904
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2,5-dichloro-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]benzamide
CID 17115543
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide (CID 17111369) is 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide is COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide?
The InChIKey is XNEUDGXVOPIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(25-21(27)13-30-16-9-6-14(23)7-10-16)8-11-19(20)26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide?
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide has a molecular weight of 445.30 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 17111369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).