3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide

C18H20ClNO3 — CID 9301624

IUPAC3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-7-5-4-6-8-13)11-20-18(21)14-9-15(19)17(23-3)16(10-14)22-2/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyKYUJQINYOLGTFM-LBPRGKRZSA-N
MW333.82 g/mol
LogP3.89
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide

3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 9301624) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID9301624
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H20ClNO3/c1-12(13-7-5-4-6-8-13)11-20-18(21)14-9-15(19)17(23-3)16(10-14)22-2/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyKYUJQINYOLGTFM-LBPRGKRZSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013174
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide (CID 9301624) is 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide is COc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is KYUJQINYOLGTFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(13-7-5-4-6-8-13)11-20-18(21)14-9-15(19)17(23-3)16(10-14)22-2/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide?
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 333.82 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 9301624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).