N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide

C10H15ClN2O2 — CID 43145956

IUPACN-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
SMILESC=CCN(CC=C)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H15ClN2O2/c1-3-7-13(8-4-2)10(15)12-9(14)5-6-11/h3-4H,1-2,5-8H2,(H,12,14,15)
InChIKeySIDGFHNMLPFTJT-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.53
Rot. Bonds6

About N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide

N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide (PubChem CID 43145956) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
PubChem CID43145956
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC NameN-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
SMILESC=CCN(CC=C)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H15ClN2O2/c1-3-7-13(8-4-2)10(15)12-9(14)5-6-11/h3-4H,1-2,5-8H2,(H,12,14,15)
InChIKeySIDGFHNMLPFTJT-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropylcarbamoyl)prop-2-enamide
CID 23451637
N-[3-(3-chloropropanoylcarbamoylamino)propyl]but-2-enamide
CID 53880693
N-[1-(3-chloroprop-2-enoylamino)propyl]-2-methylprop-2-enamide
CID 173197465
N-[1-(3-chloropropanoylcarbamoylamino)propyl]but-2-enamide
CID 173442402
3-chloro-N-(prop-2-enylcarbamoyl)propanamide
CID 43089757
1-(2-Chloropropanoyl)-3-(prop-2-en-1-yl)urea
CID 43114800
N-[bis(prop-2-enyl)carbamoyl]-2-chloropropanamide
CID 43145957
N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide
CID 43145958
3-chloro-N-(diethylcarbamoyl)propanamide
CID 43146160
3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide
CID 43146375
2-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide
CID 43146376
3-chloro-N-[methyl(prop-2-enyl)carbamoyl]propanamide
CID 81815685

Frequently Asked Questions

What is the IUPAC name of N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide?
The IUPAC name of N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide (CID 43145956) is N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide.
What is the SMILES notation for N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide?
The canonical SMILES for N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide is C=CCN(CC=C)C(=O)NC(=O)CCCl.
What is the InChIKey of N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide?
The InChIKey is SIDGFHNMLPFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-7-13(8-4-2)10(15)12-9(14)5-6-11/h3-4H,1-2,5-8H2,(H,12,14,15).
What are the key properties of N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide?
N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide has a molecular weight of 230.69 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide is sourced from PubChem (CID 43145956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).