N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

C14H22Cl2N2O3 — CID 119521982

IUPACN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(C)CN)cc1OC.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-14(2,3)8-16;/h6-7H,5,8,16H2,1-4H3,(H,17,18);1H
InChIKeyFRZFEDPZYQLQQH-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.64
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (PubChem CID 119521982) has the molecular formula C14H22Cl2N2O3 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
PubChem CID119521982
Molecular FormulaC14H22Cl2N2O3
Molecular Weight337.25 g/mol
Exact Mass336.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(C)CN)cc1OC.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-14(2,3)8-16;/h6-7H,5,8,16H2,1-4H3,(H,17,18);1H
InChIKeyFRZFEDPZYQLQQH-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
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
N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 95330977
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119575203
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
CID 119522830
4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 119357380
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (CID 119521982) is N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is CCOc1c(Cl)cc(C(=O)NC(C)(C)CN)cc1OC.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The InChIKey is FRZFEDPZYQLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3.ClH/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-14(2,3)8-16;/h6-7H,5,8,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride has a molecular weight of 337.25 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119521982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).