N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide

C19H23ClN4O3 — CID 119419296

IUPACN-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1N
InChIInChI=1S/C19H23ClN4O3/c1-19(2,3)24-18(26)23-11-5-7-14(20)13(9-11)17(25)22-12-6-8-16(27-4)15(21)10-12/h5-10H,21H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyUKSDEHXYHJPAMD-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.10
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide

N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide (PubChem CID 119419296) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
PubChem CID119419296
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1N
InChIInChI=1S/C19H23ClN4O3/c1-19(2,3)24-18(26)23-11-5-7-14(20)13(9-11)17(25)22-12-6-8-16(27-4)15(21)10-12/h5-10H,21H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyUKSDEHXYHJPAMD-UHFFFAOYSA-N
XLogP4.10
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
CID 119505718
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide (CID 119419296) is N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide is COc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide?
The InChIKey is UKSDEHXYHJPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-19(2,3)24-18(26)23-11-5-7-14(20)13(9-11)17(25)22-12-6-8-16(27-4)15(21)10-12/h5-10H,21H2,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide?
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide has a molecular weight of 390.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide is sourced from PubChem (CID 119419296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).