3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide

C16H16ClN3O3 — CID 9297573

IUPAC3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O3/c17-12-4-6-14(7-5-12)23-9-8-19-15(21)11-2-1-3-13(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyBVDLDGUEFNXEOA-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.64
Rot. Bonds6

About 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide

3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide (PubChem CID 9297573) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
PubChem CID9297573
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O3/c17-12-4-6-14(7-5-12)23-9-8-19-15(21)11-2-1-3-13(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22)
InChIKeyBVDLDGUEFNXEOA-UHFFFAOYSA-N
XLogP2.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 3253612

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide (CID 9297573) is 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide is NC(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide?
The InChIKey is BVDLDGUEFNXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-4-6-14(7-5-12)23-9-8-19-15(21)11-2-1-3-13(10-11)20-16(18)22/h1-7,10H,8-9H2,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide?
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide has a molecular weight of 333.78 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide is sourced from PubChem (CID 9297573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).