3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide

C19H22ClNO2 — CID 100554586

IUPAC3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-4-23-17-11-10-15(12-16(17)20)18(22)21-19(2,3)13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyJQYPJZSKQJYHFZ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.49
Rot. Bonds6

About 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide

3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide (PubChem CID 100554586) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide
PubChem CID100554586
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-4-23-17-11-10-15(12-16(17)20)18(22)21-19(2,3)13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyJQYPJZSKQJYHFZ-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-4-ethoxybenzoate
CID 6927202
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602
1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
CID 82287879

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide (CID 100554586) is 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
The InChIKey is JQYPJZSKQJYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-23-17-11-10-15(12-16(17)20)18(22)21-19(2,3)13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide?
3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide has a molecular weight of 331.84 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 100554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).