N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide

C14H20ClNO3 — CID 51149799

IUPACN-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-6-19-12-10(15)7-9(8-11(12)18-5)13(17)16-14(2,3)4/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyQAFHFYBFPQNJAS-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.28
Rot. Bonds4

About N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 51149799) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID51149799
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-6-19-12-10(15)7-9(8-11(12)18-5)13(17)16-14(2,3)4/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyQAFHFYBFPQNJAS-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 95330977
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119597907
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898119
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide (CID 51149799) is N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is QAFHFYBFPQNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-6-19-12-10(15)7-9(8-11(12)18-5)13(17)16-14(2,3)4/h7-8H,6H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide?
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 51149799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).