5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide

C14H18ClN3O — CID 114096478

IUPAC5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC1(C2CC2)CC1
InChIInChI=1S/C14H18ClN3O/c15-11-6-9(16)5-10(13(17)19)12(11)18-7-14(3-4-14)8-1-2-8/h5-6,8,18H,1-4,7,16H2,(H2,17,19)
InChIKeyLWMRLDFHPNLPBE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.62
Rot. Bonds5

About 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide

5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide (PubChem CID 114096478) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
PubChem CID114096478
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCC1(C2CC2)CC1
InChIInChI=1S/C14H18ClN3O/c15-11-6-9(16)5-10(13(17)19)12(11)18-7-14(3-4-14)8-1-2-8/h5-6,8,18H,1-4,7,16H2,(H2,17,19)
InChIKeyLWMRLDFHPNLPBE-UHFFFAOYSA-N
XLogP2.62
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
CID 107197042
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
CID 107196745
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
methyl 5-amino-3-chloro-2-[(1-methylcyclopropyl)methylamino]benzoate
CID 114101734

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide (CID 114096478) is 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide is NC(=O)c1cc(N)cc(Cl)c1NCC1(C2CC2)CC1.
What is the InChIKey of 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide?
The InChIKey is LWMRLDFHPNLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-6-9(16)5-10(13(17)19)12(11)18-7-14(3-4-14)8-1-2-8/h5-6,8,18H,1-4,7,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide?
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide has a molecular weight of 279.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide is sourced from PubChem (CID 114096478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).