3-[(3,5-dichlorophenyl)carbamoylamino]propanamide

C10H11Cl2N3O2 — CID 56814254

IUPAC3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
SMILESNC(=O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2N3O2/c11-6-3-7(12)5-8(4-6)15-10(17)14-2-1-9(13)16/h3-5H,1-2H2,(H2,13,16)(H2,14,15,17)
InChIKeyKFAHEHMJDAMALQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.99
Rot. Bonds4

About 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide

3-[(3,5-dichlorophenyl)carbamoylamino]propanamide (PubChem CID 56814254) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
PubChem CID56814254
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
SMILESNC(=O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2N3O2/c11-6-3-7(12)5-8(4-6)15-10(17)14-2-1-9(13)16/h3-5H,1-2H2,(H2,13,16)(H2,14,15,17)
InChIKeyKFAHEHMJDAMALQ-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
CID 107654487
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830
1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
1-(3-amino-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 62667276
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 103769234
1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
CID 107654102
(2S)-4-amino-2-[(3,5-dichlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716230
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide?
The IUPAC name of 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide (CID 56814254) is 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide?
The canonical SMILES for 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide is NC(=O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide?
The InChIKey is KFAHEHMJDAMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-6-3-7(12)5-8(4-6)15-10(17)14-2-1-9(13)16/h3-5H,1-2H2,(H2,13,16)(H2,14,15,17).
What are the key properties of 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide?
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide has a molecular weight of 276.12 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)carbamoylamino]propanamide is sourced from PubChem (CID 56814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).