2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide

C19H18ClN5O — CID 11024994

IUPAC2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
SMILESN/C(=N\Cc1cccc2ccccc12)NC(=O)c1cc(Cl)c(N)cc1N
InChIInChI=1S/C19H18ClN5O/c20-15-8-14(16(21)9-17(15)22)18(26)25-19(23)24-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,21-22H2,(H3,23,24,25,26)
InChIKeyYUOARWRTJUJJBR-UHFFFAOYSA-N
MW367.84 g/mol
LogP2.90
Rot. Bonds3

About 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide

2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide (PubChem CID 11024994) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
PubChem CID11024994
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
SMILESN/C(=N\Cc1cccc2ccccc12)NC(=O)c1cc(Cl)c(N)cc1N
InChIInChI=1S/C19H18ClN5O/c20-15-8-14(16(21)9-17(15)22)18(26)25-19(23)24-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,21-22H2,(H3,23,24,25,26)
InChIKeyYUOARWRTJUJJBR-UHFFFAOYSA-N
XLogP2.90
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide?
The IUPAC name of 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide (CID 11024994) is 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide.
What is the SMILES notation for 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide?
The canonical SMILES for 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide is N/C(=N\Cc1cccc2ccccc12)NC(=O)c1cc(Cl)c(N)cc1N.
What is the InChIKey of 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide?
The InChIKey is YUOARWRTJUJJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-15-8-14(16(21)9-17(15)22)18(26)25-19(23)24-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10,21-22H2,(H3,23,24,25,26).
What are the key properties of 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide?
2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide has a molecular weight of 367.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 11024994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).