N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide

C16H15ClN4O3 — CID 910323

IUPACN-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O3/c1-10(22)18-13-6-2-11(3-7-13)15(23)20-21-16(24)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyIFFKWKFURZUGNJ-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.76
Rot. Bonds3

About N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide

N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide (PubChem CID 910323) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
PubChem CID910323
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O3/c1-10(22)18-13-6-2-11(3-7-13)15(23)20-21-16(24)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,22)(H,20,23)(H2,19,21,24)
InChIKeyIFFKWKFURZUGNJ-UHFFFAOYSA-N
XLogP2.76
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
N'-acetyl-4-chlorobenzohydrazide
CID 799230
1-(4-chlorophenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 3309712
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide (CID 910323) is N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide?
The InChIKey is IFFKWKFURZUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10(22)18-13-6-2-11(3-7-13)15(23)20-21-16(24)19-14-8-4-12(17)5-9-14/h2-9H,1H3,(H,18,22)(H,20,23)(H2,19,21,24).
What are the key properties of N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide?
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 910323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).