3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide

C25H27ClN2O3 — CID 90656242

IUPAC3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C25H27ClN2O3/c1-28(2)16-15-23(18-7-5-4-6-8-18)31-21-12-10-20(11-13-21)27-25(29)19-9-14-24(30-3)22(26)17-19/h4-14,17,23H,15-16H2,1-3H3,(H,27,29)
InChIKeyDXAJRWYUVQJPNE-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.67
Rot. Bonds9

About 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide

3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide (PubChem CID 90656242) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide
PubChem CID90656242
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C25H27ClN2O3/c1-28(2)16-15-23(18-7-5-4-6-8-18)31-21-12-10-20(11-13-21)27-25(29)19-9-14-24(30-3)22(26)17-19/h4-14,17,23H,15-16H2,1-3H3,(H,27,29)
InChIKeyDXAJRWYUVQJPNE-UHFFFAOYSA-N
XLogP5.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(11S)-10-Acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 44574817
4-(2-Aminoethoxy)-3,5-dichloro-N-[3-(1-methylethoxy)phenyl]benzamide
CID 23653530
1-(3-Chlorophenyl)-4-(4-ethoxybenzoyl)piperazine
CID 597213
4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 24905400
3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamoyl)-benzyl]-4-methoxy-benzamide
CID 25054307
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
5-Acetyl-6-(4-benzyloxy-3-chloro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 49767832
6-chloro-3-ethyl-2-methyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-quinolin-4-one
CID 56925754
3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063089
4-chloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063107
3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063152
4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide (CID 90656242) is 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(OC(CCN(C)C)c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide?
The InChIKey is DXAJRWYUVQJPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-28(2)16-15-23(18-7-5-4-6-8-18)31-21-12-10-20(11-13-21)27-25(29)19-9-14-24(30-3)22(26)17-19/h4-14,17,23H,15-16H2,1-3H3,(H,27,29).
What are the key properties of 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide?
3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide has a molecular weight of 438.96 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 90656242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).