N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide

C18H21ClN2O2 — CID 166262978

IUPACN-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide
SMILESCN(C)Cc1ccc(NC(=O)CCc2cccc(O)c2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-14-7-8-15(11-17(14)19)20-18(23)9-6-13-4-3-5-16(22)10-13/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,20,23)
InChIKeySVIDYUSRHFPVRQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.68
Rot. Bonds6

About N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide

N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide (PubChem CID 166262978) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide
PubChem CID166262978
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide
SMILESCN(C)Cc1ccc(NC(=O)CCc2cccc(O)c2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-14-7-8-15(11-17(14)19)20-18(23)9-6-13-4-3-5-16(22)10-13/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,20,23)
InChIKeySVIDYUSRHFPVRQ-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
CID 144820176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)propanamide
CID 71192997
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(3,5-dichloro-4-fluorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 106511124
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide?
The IUPAC name of N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide (CID 166262978) is N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide?
The canonical SMILES for N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide is CN(C)Cc1ccc(NC(=O)CCc2cccc(O)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide?
The InChIKey is SVIDYUSRHFPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(2)12-14-7-8-15(11-17(14)19)20-18(23)9-6-13-4-3-5-16(22)10-13/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,20,23).
What are the key properties of N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide?
N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 166262978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).