N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide

C23H20ClN3O4 — CID 3347368

IUPACN-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-15-3-2-4-17(13-15)22(29)25-19-9-5-16(6-10-19)23(30)27-26-21(28)14-31-20-11-7-18(24)8-12-20/h2-13H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHGAUXJBQUBTINE-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide

N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 3347368) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
PubChem CID3347368
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-15-3-2-4-17(13-15)22(29)25-19-9-5-16(6-10-19)23(30)27-26-21(28)14-31-20-11-7-18(24)8-12-20/h2-13H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHGAUXJBQUBTINE-UHFFFAOYSA-N
XLogP3.74
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide (CID 3347368) is N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is HGAUXJBQUBTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-15-3-2-4-17(13-15)22(29)25-19-9-5-16(6-10-19)23(30)27-26-21(28)14-31-20-11-7-18(24)8-12-20/h2-13H,14H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 437.88 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 3347368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).