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

C22H21ClN2O2 — CID 112984117

IUPACN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-4-2-3-17(15-21)22(26)25-20-11-9-19(10-12-20)24-14-13-16-5-7-18(23)8-6-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyYNLBTWRXEZVUDT-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.26
Rot. Bonds7

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

N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide (PubChem CID 112984117) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
PubChem CID112984117
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-4-2-3-17(15-21)22(26)25-20-11-9-19(10-12-20)24-14-13-16-5-7-18(23)8-6-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyYNLBTWRXEZVUDT-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

3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112983594

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide (CID 112984117) is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NCCc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide?
The InChIKey is YNLBTWRXEZVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-21-4-2-3-17(15-21)22(26)25-20-11-9-19(10-12-20)24-14-13-16-5-7-18(23)8-6-16/h2-12,15,24H,13-14H2,1H3,(H,25,26).
What are the key properties of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide?
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-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-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 112984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).