N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide

C18H20ClNO3 — CID 31827609

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-5-8-15(19)9-6-13)20(2)18(21)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3/t12-/m1/s1
InChIKeyNTHUFTYPDBSHDB-GFCCVEGCSA-N
MW333.82 g/mol
LogP4.19
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide (PubChem CID 31827609) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
PubChem CID31827609
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-5-8-15(19)9-6-13)20(2)18(21)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3/t12-/m1/s1
InChIKeyNTHUFTYPDBSHDB-GFCCVEGCSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46580574
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 134003966
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 107952071
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide (CID 31827609) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is NTHUFTYPDBSHDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(13-5-8-15(19)9-6-13)20(2)18(21)14-7-10-16(22-3)17(11-14)23-4/h5-12H,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 31827609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).