N-(3-chlorophenyl)-1-methylphosphanylformamide

C8H9ClNOP — CID 138970843

IUPACN-(3-chlorophenyl)-1-methylphosphanylformamide
SMILESCPC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H9ClNOP/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5,12H,1H3,(H,10,11)
InChIKeyWIYNUDMUYACPOS-UHFFFAOYSA-N
MW201.59 g/mol
LogP3.18
Rot. Bonds2

About N-(3-chlorophenyl)-1-methylphosphanylformamide

N-(3-chlorophenyl)-1-methylphosphanylformamide (PubChem CID 138970843) has the molecular formula C8H9ClNOP and a molecular weight of 201.59 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylphosphanylformamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylphosphanylformamide
PubChem CID138970843
Molecular FormulaC8H9ClNOP
Molecular Weight201.59 g/mol
Exact Mass201.01
IUPAC NameN-(3-chlorophenyl)-1-methylphosphanylformamide
SMILESCPC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H9ClNOP/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5,12H,1H3,(H,10,11)
InChIKeyWIYNUDMUYACPOS-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylphosphanylformamide?
The IUPAC name of N-(3-chlorophenyl)-1-methylphosphanylformamide (CID 138970843) is N-(3-chlorophenyl)-1-methylphosphanylformamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylphosphanylformamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methylphosphanylformamide is CPC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-methylphosphanylformamide?
The InChIKey is WIYNUDMUYACPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClNOP/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5,12H,1H3,(H,10,11).
What are the key properties of N-(3-chlorophenyl)-1-methylphosphanylformamide?
N-(3-chlorophenyl)-1-methylphosphanylformamide has a molecular weight of 201.59 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylphosphanylformamide is sourced from PubChem (CID 138970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).