4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

C19H23ClN4O3 — CID 119730378

IUPAC4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C19H23ClN4O3/c1-11(2)23-19(26)24-13-6-4-12(5-7-13)10-22-18(25)14-8-15(20)16(21)9-17(14)27-3/h4-9,11H,10,21H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyRFTQARKKRBHDJB-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.39
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (PubChem CID 119730378) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
PubChem CID119730378
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C19H23ClN4O3/c1-11(2)23-19(26)24-13-6-4-12(5-7-13)10-22-18(25)14-8-15(20)16(21)9-17(14)27-3/h4-9,11H,10,21H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyRFTQARKKRBHDJB-UHFFFAOYSA-N
XLogP3.39
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.39
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

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
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CID 119836255
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxybenzamide;hydrochloride
CID 119756204
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
2,3,5-trichloro-6-hydroxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 112824262
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
2,4-dichloro-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46464704
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 78873760

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (CID 119730378) is 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The InChIKey is RFTQARKKRBHDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-11(2)23-19(26)24-13-6-4-12(5-7-13)10-22-18(25)14-8-15(20)16(21)9-17(14)27-3/h4-9,11H,10,21H2,1-3H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 119730378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).