N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide

C18H19ClN4O3 — CID 4922849

IUPACN-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-2-4-16(24)20-14-9-7-12(8-10-14)17(25)22-23-18(26)21-15-6-3-5-13(19)11-15/h3,5-11H,2,4H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyJAWBYEVBRPXHOR-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.55
Rot. Bonds5

About N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide

N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide (PubChem CID 4922849) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide
PubChem CID4922849
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-2-4-16(24)20-14-9-7-12(8-10-14)17(25)22-23-18(26)21-15-6-3-5-13(19)11-15/h3,5-11H,2,4H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyJAWBYEVBRPXHOR-UHFFFAOYSA-N
XLogP3.55
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.55
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

N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
N-[4-[[(2-bromobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011742
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
N-[4-[[(2-iodobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011744
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide (CID 4922849) is N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide?
The InChIKey is JAWBYEVBRPXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-2-4-16(24)20-14-9-7-12(8-10-14)17(25)22-23-18(26)21-15-6-3-5-13(19)11-15/h3,5-11H,2,4H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide?
N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide has a molecular weight of 374.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 4922849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).