3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide

C19H23ClN2O2 — CID 86898203

IUPAC3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14-5-6-15(13-18(14)20)19(23)21-16-7-9-17(10-8-16)24-12-4-11-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyZTTROJJCSANBAR-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.23
Rot. Bonds7

About 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide

3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide (PubChem CID 86898203) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
PubChem CID86898203
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14-5-6-15(13-18(14)20)19(23)21-16-7-9-17(10-8-16)24-12-4-11-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyZTTROJJCSANBAR-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
CID 70860455
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
3,4-dichloro-N-[1-[4-[3-(dimethylamino)propoxy]phenyl]piperidin-4-yl]benzamide
CID 10225840
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide (CID 86898203) is 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide?
The InChIKey is ZTTROJJCSANBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-5-6-15(13-18(14)20)19(23)21-16-7-9-17(10-8-16)24-12-4-11-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide?
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide has a molecular weight of 346.86 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide is sourced from PubChem (CID 86898203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).