N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide

C22H21ClN2O2 — CID 112985705

IUPACN-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-8-3-2-7-20(21)22(26)25-19-11-9-18(10-12-19)24-14-13-16-5-4-6-17(23)15-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyLTCWFOUAKCAXFM-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide

N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide (PubChem CID 112985705) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
PubChem CID112985705
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-8-3-2-7-20(21)22(26)25-19-11-9-18(10-12-19)24-14-13-16-5-4-6-17(23)15-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyLTCWFOUAKCAXFM-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112983392
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109241188
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide (CID 112985705) is N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide?
The InChIKey is LTCWFOUAKCAXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-21-8-3-2-7-20(21)22(26)25-19-11-9-18(10-12-19)24-14-13-16-5-4-6-17(23)15-16/h2-12,15,24H,13-14H2,1H3,(H,25,26).
What are the key properties of N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide?
N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide has a molecular weight of 380.88 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 112985705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).