2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide

C21H25ClN2O4 — CID 70260112

IUPAC2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide
SMILESCCCN(C)C(=O)N(C)C(=O)c1cc(OCc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C21H25ClN2O4/c1-5-11-23(2)21(26)24(3)20(25)16-12-19(18(27-4)13-17(16)22)28-14-15-9-7-6-8-10-15/h6-10,12-13H,5,11,14H2,1-4H3
InChIKeyCLFZJESNXVQPRB-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.46
Rot. Bonds7

About 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide

2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide (PubChem CID 70260112) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide
PubChem CID70260112
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide
SMILESCCCN(C)C(=O)N(C)C(=O)c1cc(OCc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C21H25ClN2O4/c1-5-11-23(2)21(26)24(3)20(25)16-12-19(18(27-4)13-17(16)22)28-14-15-9-7-6-8-10-15/h6-10,12-13H,5,11,14H2,1-4H3
InChIKeyCLFZJESNXVQPRB-UHFFFAOYSA-N
XLogP4.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide
CID 20568689
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
2-chloro-5-methoxy-4-propoxybenzoic acid
CID 66528858
3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 58655143
2-(dimethylaminomethylideneamino)-4-methoxy-5-phenylmethoxybenzoic acid
CID 155235881
5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide?
The IUPAC name of 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide (CID 70260112) is 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide?
The canonical SMILES for 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide is CCCN(C)C(=O)N(C)C(=O)c1cc(OCc2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide?
The InChIKey is CLFZJESNXVQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-5-11-23(2)21(26)24(3)20(25)16-12-19(18(27-4)13-17(16)22)28-14-15-9-7-6-8-10-15/h6-10,12-13H,5,11,14H2,1-4H3.
What are the key properties of 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide?
2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide is sourced from PubChem (CID 70260112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).