N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide

C18H21ClN2O3 — CID 120568311

IUPACN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-4-7-24-17-14(19)8-12(9-16(17)23-3)18(22)21-15-10-13(20)6-5-11(15)2/h5-6,8-10H,4,7,20H2,1-3H3,(H,21,22)
InChIKeyJPKFQPNCZNOKOB-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.28
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide

N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide (PubChem CID 120568311) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
PubChem CID120568311
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-4-7-24-17-14(19)8-12(9-16(17)23-3)18(22)21-15-10-13(20)6-5-11(15)2/h5-6,8-10H,4,7,20H2,1-3H3,(H,21,22)
InChIKeyJPKFQPNCZNOKOB-UHFFFAOYSA-N
XLogP4.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
CID 4033767
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide (CID 120568311) is N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide?
The InChIKey is JPKFQPNCZNOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-4-7-24-17-14(19)8-12(9-16(17)23-3)18(22)21-15-10-13(20)6-5-11(15)2/h5-6,8-10H,4,7,20H2,1-3H3,(H,21,22).
What are the key properties of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide?
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 120568311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).