N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

C19H23ClN2O3 — CID 55337257

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2N(C)C)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-22(2)16-8-7-14(20)12-15(16)21-19(23)10-6-13-5-9-17(24-3)18(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,21,23)
InChIKeyXWRQRJZNMGDETJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.99
Rot. Bonds7

About N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 55337257) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID55337257
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2N(C)C)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-22(2)16-8-7-14(20)12-15(16)21-19(23)10-6-13-5-9-17(24-3)18(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,21,23)
InChIKeyXWRQRJZNMGDETJ-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 55337257) is N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N(C)C)cc1OC.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is XWRQRJZNMGDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-22(2)16-8-7-14(20)12-15(16)21-19(23)10-6-13-5-9-17(24-3)18(11-13)25-4/h5,7-9,11-12H,6,10H2,1-4H3,(H,21,23).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55337257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).