(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride

C12H10Cl3NO2 — CID 160533977

IUPAC(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride
SMILESNCc1ccc(Cl)c(Cl)c1.O=C(Cl)c1ccco1
InChIInChI=1S/C7H7Cl2N.C5H3ClO2/c8-6-2-1-5(4-10)3-7(6)9;6-5(7)4-2-1-3-8-4/h1-3H,4,10H2;1-3H
InChIKeyQVXKDURNFVTBQZ-UHFFFAOYSA-N
MW306.58 g/mol
LogP4.11
Rot. Bonds2

About (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride

(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride (PubChem CID 160533977) has the molecular formula C12H10Cl3NO2 and a molecular weight of 306.58 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride
PubChem CID160533977
Molecular FormulaC12H10Cl3NO2
Molecular Weight306.58 g/mol
Exact Mass304.98
IUPAC Name(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride
SMILESNCc1ccc(Cl)c(Cl)c1.O=C(Cl)c1ccco1
InChIInChI=1S/C7H7Cl2N.C5H3ClO2/c8-6-2-1-5(4-10)3-7(6)9;6-5(7)4-2-1-3-8-4/h1-3H,4,10H2;1-3H
InChIKeyQVXKDURNFVTBQZ-UHFFFAOYSA-N
XLogP4.11
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
CID 126180652
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
CID 23938739
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride?
The IUPAC name of (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride (CID 160533977) is (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride.
What is the SMILES notation for (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride?
The canonical SMILES for (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride is NCc1ccc(Cl)c(Cl)c1.O=C(Cl)c1ccco1.
What is the InChIKey of (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride?
The InChIKey is QVXKDURNFVTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N.C5H3ClO2/c8-6-2-1-5(4-10)3-7(6)9;6-5(7)4-2-1-3-8-4/h1-3H,4,10H2;1-3H.
What are the key properties of (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride?
(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride has a molecular weight of 306.58 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride is sourced from PubChem (CID 160533977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).