2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide

C23H26ClN3O4 — CID 71656488

IUPAC2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)C3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C23H26ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyAZLMTRKYVSQDCY-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.87
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide

2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide (PubChem CID 71656488) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide
PubChem CID71656488
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)C3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C23H26ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyAZLMTRKYVSQDCY-UHFFFAOYSA-N
XLogP3.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.87
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-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
CID 71656387
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17356671
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
3-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide
CID 4502168
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-[4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3293927

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide (CID 71656488) is 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)C3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide?
The InChIKey is AZLMTRKYVSQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h7-13,16H,2-6,14H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide?
2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide has a molecular weight of 443.93 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide is sourced from PubChem (CID 71656488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).