4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide

C16H15Cl2N3O2 — CID 21056391

IUPAC4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide
SMILESNC(N)c1ccc(C(=O)NC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)11(12)8-14(22)21-16(23)10-6-4-9(5-7-10)15(19)20/h1-7,15H,8,19-20H2,(H,21,22,23)
InChIKeyLNRUFYMATQXMEH-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.41
Rot. Bonds4

About 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide

4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide (PubChem CID 21056391) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide.

Molecular Properties

Compound Name4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide
PubChem CID21056391
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide
SMILESNC(N)c1ccc(C(=O)NC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)11(12)8-14(22)21-16(23)10-6-4-9(5-7-10)15(19)20/h1-7,15H,8,19-20H2,(H,21,22,23)
InChIKeyLNRUFYMATQXMEH-UHFFFAOYSA-N
XLogP2.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
CID 135405955
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
N-(2-chloroprop-2-enyl)-2-(2,6-dichlorophenyl)acetamide
CID 115636770
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
(2R,5R)-5-amino-N-[N-[2-(2,6-dichlorophenyl)acetyl]carbamimidoyl]-6-methyl-4-oxo-2-propan-2-ylheptanamide
CID 162205665
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 66166034
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dichlorophenyl)acetamide
CID 134096998
ethyl N-[N-[2-(2,6-dichlorophenyl)acetyl]carbamimidoyl]carbamate
CID 135565040
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749

Frequently Asked Questions

What is the IUPAC name of 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide?
The IUPAC name of 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide (CID 21056391) is 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide.
What is the SMILES notation for 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide?
The canonical SMILES for 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide is NC(N)c1ccc(C(=O)NC(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide?
The InChIKey is LNRUFYMATQXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)11(12)8-14(22)21-16(23)10-6-4-9(5-7-10)15(19)20/h1-7,15H,8,19-20H2,(H,21,22,23).
What are the key properties of 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide?
4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide is sourced from PubChem (CID 21056391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).