N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide

C17H18ClN3O2 — CID 122144264

IUPACN-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12(22)19-9-10-20-17(23)21-16-11-14(7-8-15(16)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyPAZPISANHLHLRO-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide

N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide (PubChem CID 122144264) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide
PubChem CID122144264
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12(22)19-9-10-20-17(23)21-16-11-14(7-8-15(16)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyPAZPISANHLHLRO-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide
CID 100620681
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxobutanoic acid
CID 4752855
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
5-[(2-chloro-5-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 107627773
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
4-chloro-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]benzoic acid
CID 62635155

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide (CID 122144264) is N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide?
The InChIKey is PAZPISANHLHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(22)19-9-10-20-17(23)21-16-11-14(7-8-15(16)18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide?
N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 122144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).