N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide

C23H21ClN2O3 — CID 28638799

IUPACN-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyKHTTUHABIDFHHS-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.60
Rot. Bonds7

About N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide

N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide (PubChem CID 28638799) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
PubChem CID28638799
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyKHTTUHABIDFHHS-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide (CID 28638799) is N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is KHTTUHABIDFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16-12-19(24)10-11-21(16)29-15-22(27)26-20-9-5-8-18(13-20)23(28)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide?
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 28638799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).